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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Related Compounds

4-(aminomethyl)-N-methyl-N-pentan-3-yl-2-propan-2-ylpyrimidin-5-amine
CID 62285825
4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine
CID 62299633
4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine
CID 112665331
4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine
CID 62300682
4-(aminomethyl)-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine
CID 112754624
4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-propan-2-ylpyrimidin-5-amine
CID 63938723
N-butan-2-yl-4-(chloromethyl)-N-ethyl-2-propan-2-ylpyrimidin-5-amine
CID 55032896
4-(aminomethyl)-N-methyl-N-(2-methylphenyl)-2-propan-2-ylpyrimidin-5-amine
CID 62286715
4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-2-amine
CID 107542129
4-(aminomethyl)-N-methyl-2-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-5-amine
CID 62286192
2-N-(2-methylpropyl)-2-N-pentan-3-ylpyrimidine-2,5-diamine
CID 79483689
N-ethyl-4-(ethylaminomethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-5-amine
CID 62279544

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).