N-methyl-N-propan-2-yl-5-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]pent-4-yn-1-amine

C22H35N5 — CID 155740029

IUPACN-methyl-N-propan-2-yl-5-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]pent-4-yn-1-amine
SMILESCC(C)N(C)CCCC#Cc1cnc(N2C3CCC2CN(C(C)C)C3)nc1
InChIInChI=1S/C22H35N5/c1-17(2)25(5)12-8-6-7-9-19-13-23-22(24-14-19)27-20-10-11-21(27)16-26(15-20)18(3)4/h13-14,17-18,20-21H,6,8,10-12,15-16H2,1-5H3
InChIKeyMNTMVAQPIUXKFH-UHFFFAOYSA-N
MW369.56 g/mol
LogP3.01
Rot. Bonds6

About N-methyl-N-propan-2-yl-5-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]pent-4-yn-1-amine

N-methyl-N-propan-2-yl-5-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]pent-4-yn-1-amine (PubChem CID 155740029) has the molecular formula C22H35N5 and a molecular weight of 369.56 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-5-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]pent-4-yn-1-amine.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-5-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]pent-4-yn-1-amine
PubChem CID155740029
Molecular FormulaC22H35N5
Molecular Weight369.56 g/mol
Exact Mass369.29
IUPAC NameN-methyl-N-propan-2-yl-5-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]pent-4-yn-1-amine
SMILESCC(C)N(C)CCCC#Cc1cnc(N2C3CCC2CN(C(C)C)C3)nc1
InChIInChI=1S/C22H35N5/c1-17(2)25(5)12-8-6-7-9-19-13-23-22(24-14-19)27-20-10-11-21(27)16-26(15-20)18(3)4/h13-14,17-18,20-21H,6,8,10-12,15-16H2,1-5H3
InChIKeyMNTMVAQPIUXKFH-UHFFFAOYSA-N
XLogP3.01
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.56
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-methyl-N-propan-2-yl-5-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]pent-4-yn-1-amine with MolForge

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Related Compounds

3-propan-2-yl-8-pyrimidin-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 134380019
N,4-dimethyl-N-[3-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]pentyl]pentan-1-amine
CID 171540048
1-[2-methyl-4-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]cyclohexyl]ethanone
CID 167109902
4-[4-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]butan-1-ol
CID 155739825
8-[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyrimidin-2-yl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 167109879
ethane;8-[5-[1-(9-methoxynonyl)piperidin-4-yl]pyrimidin-2-yl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 155739656
N-pentyl-2-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]acetamide
CID 163400809
1-[3-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]propan-2-one
CID 155740902
2-ethoxy-N-[6-[methyl-[3-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]pentyl]amino]hexyl]acetamide;molecular hydrogen
CID 155740605
acetaldehyde;N-methyl-N-[[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]methyl]-1-spiro[3.3]heptan-2-ylmethanamine
CID 163401569
8-(4-methylpyrimidin-2-yl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 155740008
8-[5-(cyclohexen-1-yl)pyrimidin-2-yl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-methylpropanal
CID 155740614

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-5-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]pent-4-yn-1-amine?
The IUPAC name of N-methyl-N-propan-2-yl-5-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]pent-4-yn-1-amine (CID 155740029) is N-methyl-N-propan-2-yl-5-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]pent-4-yn-1-amine.
What is the SMILES notation for N-methyl-N-propan-2-yl-5-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]pent-4-yn-1-amine?
The canonical SMILES for N-methyl-N-propan-2-yl-5-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]pent-4-yn-1-amine is CC(C)N(C)CCCC#Cc1cnc(N2C3CCC2CN(C(C)C)C3)nc1.
What is the InChIKey of N-methyl-N-propan-2-yl-5-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]pent-4-yn-1-amine?
The InChIKey is MNTMVAQPIUXKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5/c1-17(2)25(5)12-8-6-7-9-19-13-23-22(24-14-19)27-20-10-11-21(27)16-26(15-20)18(3)4/h13-14,17-18,20-21H,6,8,10-12,15-16H2,1-5H3.
What are the key properties of N-methyl-N-propan-2-yl-5-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]pent-4-yn-1-amine?
N-methyl-N-propan-2-yl-5-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]pent-4-yn-1-amine has a molecular weight of 369.56 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-5-[2-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]pent-4-yn-1-amine is sourced from PubChem (CID 155740029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).