N-butyl-N-pentan-2-yl-2-propylpyrimidin-4-amine

C16H29N3 — CID 71106931

IUPACN-butyl-N-pentan-2-yl-2-propylpyrimidin-4-amine
SMILESCCCCN(c1ccnc(CCC)n1)C(C)CCC
InChIInChI=1S/C16H29N3/c1-5-8-13-19(14(4)9-6-2)16-11-12-17-15(18-16)10-7-3/h11-12,14H,5-10,13H2,1-4H3
InChIKeyPPENFGAIGMMJLO-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.22
Rot. Bonds9

About N-butyl-N-pentan-2-yl-2-propylpyrimidin-4-amine

N-butyl-N-pentan-2-yl-2-propylpyrimidin-4-amine (PubChem CID 71106931) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-butyl-N-pentan-2-yl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-N-pentan-2-yl-2-propylpyrimidin-4-amine
PubChem CID71106931
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-butyl-N-pentan-2-yl-2-propylpyrimidin-4-amine
SMILESCCCCN(c1ccnc(CCC)n1)C(C)CCC
InChIInChI=1S/C16H29N3/c1-5-8-13-19(14(4)9-6-2)16-11-12-17-15(18-16)10-7-3/h11-12,14H,5-10,13H2,1-4H3
InChIKeyPPENFGAIGMMJLO-UHFFFAOYSA-N
XLogP4.22
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-pentan-2-yl-2-propylpyrimidin-4-amine?
The IUPAC name of N-butyl-N-pentan-2-yl-2-propylpyrimidin-4-amine (CID 71106931) is N-butyl-N-pentan-2-yl-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-butyl-N-pentan-2-yl-2-propylpyrimidin-4-amine?
The canonical SMILES for N-butyl-N-pentan-2-yl-2-propylpyrimidin-4-amine is CCCCN(c1ccnc(CCC)n1)C(C)CCC.
What is the InChIKey of N-butyl-N-pentan-2-yl-2-propylpyrimidin-4-amine?
The InChIKey is PPENFGAIGMMJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-8-13-19(14(4)9-6-2)16-11-12-17-15(18-16)10-7-3/h11-12,14H,5-10,13H2,1-4H3.
What are the key properties of N-butyl-N-pentan-2-yl-2-propylpyrimidin-4-amine?
N-butyl-N-pentan-2-yl-2-propylpyrimidin-4-amine has a molecular weight of 263.43 g/mol, XLogP of 4.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-pentan-2-yl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 71106931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).