4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-5-amine

C17H32N4 — CID 79491452

IUPAC4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-5-amine
SMILESCCC(CC)N(CC(C)C)c1cnc(C(C)C)nc1CN
InChIInChI=1S/C17H32N4/c1-7-14(8-2)21(11-12(3)4)16-10-19-17(13(5)6)20-15(16)9-18/h10,12-14H,7-9,11,18H2,1-6H3
InChIKeyHVLICQZQUAOLMR-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.71
Rot. Bonds8

About 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-5-amine

4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-5-amine (PubChem CID 79491452) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-5-amine
PubChem CID79491452
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-5-amine
SMILESCCC(CC)N(CC(C)C)c1cnc(C(C)C)nc1CN
InChIInChI=1S/C17H32N4/c1-7-14(8-2)21(11-12(3)4)16-10-19-17(13(5)6)20-15(16)9-18/h10,12-14H,7-9,11,18H2,1-6H3
InChIKeyHVLICQZQUAOLMR-UHFFFAOYSA-N
XLogP3.71
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-5-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-5-amine (CID 79491452) is 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-5-amine is CCC(CC)N(CC(C)C)c1cnc(C(C)C)nc1CN.
What is the InChIKey of 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-5-amine?
The InChIKey is HVLICQZQUAOLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-7-14(8-2)21(11-12(3)4)16-10-19-17(13(5)6)20-15(16)9-18/h10,12-14H,7-9,11,18H2,1-6H3.
What are the key properties of 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-5-amine?
4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-5-amine has a molecular weight of 292.47 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 79491452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).