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

C14H26N4 — CID 107542129

IUPAC4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-2-amine
SMILESCCC(CC)N(CC(C)C)c1nccc(CN)n1
InChIInChI=1S/C14H26N4/c1-5-13(6-2)18(10-11(3)4)14-16-8-7-12(9-15)17-14/h7-8,11,13H,5-6,9-10,15H2,1-4H3
InChIKeyQQFKSXHFBPBDGB-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.59
Rot. Bonds7

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

4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-2-amine (PubChem CID 107542129) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-2-amine
PubChem CID107542129
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-2-amine
SMILESCCC(CC)N(CC(C)C)c1nccc(CN)n1
InChIInChI=1S/C14H26N4/c1-5-13(6-2)18(10-11(3)4)14-16-8-7-12(9-15)17-14/h7-8,11,13H,5-6,9-10,15H2,1-4H3
InChIKeyQQFKSXHFBPBDGB-UHFFFAOYSA-N
XLogP2.59
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.59
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-ylpyrimidin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-2-amine (CID 107542129) is 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-2-amine is CCC(CC)N(CC(C)C)c1nccc(CN)n1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-2-amine?
The InChIKey is QQFKSXHFBPBDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-13(6-2)18(10-11(3)4)14-16-8-7-12(9-15)17-14/h7-8,11,13H,5-6,9-10,15H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-2-amine?
4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.59, 7 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-ylpyrimidin-2-amine is sourced from PubChem (CID 107542129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).