N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine

C17H30N4 — CID 103503036

IUPACN-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCC(C(C)C)CC2)nc1C
InChIInChI=1S/C17H30N4/c1-5-8-18-11-16-12-19-17(20-14(16)4)21-9-6-15(7-10-21)13(2)3/h12-13,15,18H,5-11H2,1-4H3
InChIKeyPTOLDMXLOOEFAQ-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.16
Rot. Bonds6

About N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine

N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 103503036) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine
PubChem CID103503036
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC NameN-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCC(C(C)C)CC2)nc1C
InChIInChI=1S/C17H30N4/c1-5-8-18-11-16-12-19-17(20-14(16)4)21-9-6-15(7-10-21)13(2)3/h12-13,15,18H,5-11H2,1-4H3
InChIKeyPTOLDMXLOOEFAQ-UHFFFAOYSA-N
XLogP3.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 103502946
N-[[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83185152
N,N-dimethyl-1-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 83185384
N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83185621
N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 102967713
N-[[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83185179
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83185190
N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine
CID 83185682
N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 103503053
N,N-dimethyl-1-[4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-amine
CID 83179302
N,N-dimethyl-1-[4-methyl-5-(methylaminomethyl)pyrimidin-2-yl]piperidin-4-amine
CID 83185173
1-[2-(4-ethoxypiperidin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83186471

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine (CID 103503036) is N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1cnc(N2CCC(C(C)C)CC2)nc1C.
What is the InChIKey of N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is PTOLDMXLOOEFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-8-18-11-16-12-19-17(20-14(16)4)21-9-6-15(7-10-21)13(2)3/h12-13,15,18H,5-11H2,1-4H3.
What are the key properties of N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine?
N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 290.46 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 103503036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).