N-pent-4-ynyl-6-propan-2-ylpyrimidin-4-amine

C12H17N3 — CID 103704412

IUPACN-pent-4-ynyl-6-propan-2-ylpyrimidin-4-amine
SMILESC#CCCCNc1cc(C(C)C)ncn1
InChIInChI=1S/C12H17N3/c1-4-5-6-7-13-12-8-11(10(2)3)14-9-15-12/h1,8-10H,5-7H2,2-3H3,(H,13,14,15)
InChIKeyFRPMTEBDGZZXMW-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.43
Rot. Bonds5

About N-pent-4-ynyl-6-propan-2-ylpyrimidin-4-amine

N-pent-4-ynyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 103704412) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-pent-4-ynyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-pent-4-ynyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID103704412
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-pent-4-ynyl-6-propan-2-ylpyrimidin-4-amine
SMILESC#CCCCNc1cc(C(C)C)ncn1
InChIInChI=1S/C12H17N3/c1-4-5-6-7-13-12-8-11(10(2)3)14-9-15-12/h1,8-10H,5-7H2,2-3H3,(H,13,14,15)
InChIKeyFRPMTEBDGZZXMW-UHFFFAOYSA-N
XLogP2.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-6-propan-2-ylpyrimidin-4-amine
CID 61239397
N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240160
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240740
N'-(6-propan-2-ylpyrimidin-4-yl)hexane-1,6-diamine
CID 107844656
N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 62663943
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 58337037
N-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 62614721
6-propan-2-yl-N-[3-(triazol-1-yl)propyl]pyrimidin-4-amine
CID 113412986
6-propan-2-yl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 61240928
3-N-ethyl-3-N-methyl-1-N-(6-propan-2-ylpyrimidin-4-yl)butane-1,3-diamine
CID 72838162
6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine
CID 62142623
N-cyclopropyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 78954830

Frequently Asked Questions

What is the IUPAC name of N-pent-4-ynyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-pent-4-ynyl-6-propan-2-ylpyrimidin-4-amine (CID 103704412) is N-pent-4-ynyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-pent-4-ynyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-pent-4-ynyl-6-propan-2-ylpyrimidin-4-amine is C#CCCCNc1cc(C(C)C)ncn1.
What is the InChIKey of N-pent-4-ynyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is FRPMTEBDGZZXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-4-5-6-7-13-12-8-11(10(2)3)14-9-15-12/h1,8-10H,5-7H2,2-3H3,(H,13,14,15).
What are the key properties of N-pent-4-ynyl-6-propan-2-ylpyrimidin-4-amine?
N-pent-4-ynyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 203.29 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-ynyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 103704412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).