4-N-butan-2-yl-4-N-butyl-5-propylpyrimidine-4,6-diamine

C15H28N4 — CID 80821387

IUPAC4-N-butan-2-yl-4-N-butyl-5-propylpyrimidine-4,6-diamine
SMILESCCCCN(c1ncnc(N)c1CCC)C(C)CC
InChIInChI=1S/C15H28N4/c1-5-8-10-19(12(4)7-3)15-13(9-6-2)14(16)17-11-18-15/h11-12H,5-10H2,1-4H3,(H2,16,17,18)
InChIKeyQKJXMPGHNRGBAM-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.42
Rot. Bonds8

About 4-N-butan-2-yl-4-N-butyl-5-propylpyrimidine-4,6-diamine

4-N-butan-2-yl-4-N-butyl-5-propylpyrimidine-4,6-diamine (PubChem CID 80821387) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 4-N-butan-2-yl-4-N-butyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-4-N-butyl-5-propylpyrimidine-4,6-diamine
PubChem CID80821387
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name4-N-butan-2-yl-4-N-butyl-5-propylpyrimidine-4,6-diamine
SMILESCCCCN(c1ncnc(N)c1CCC)C(C)CC
InChIInChI=1S/C15H28N4/c1-5-8-10-19(12(4)7-3)15-13(9-6-2)14(16)17-11-18-15/h11-12H,5-10H2,1-4H3,(H2,16,17,18)
InChIKeyQKJXMPGHNRGBAM-UHFFFAOYSA-N
XLogP3.42
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butan-2-yl-4-N-butylpyrimidine-4,5-diamine
CID 79915760
4-N-(cyclopropylmethyl)-4-N-propan-2-yl-5-propylpyrimidine-4,6-diamine
CID 80821292
4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80774560
4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-5-propylpyrimidine-4,6-diamine
CID 80814927
4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine
CID 80754266
4-N-(2-methoxyethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80795825
4-N-cyclopropyl-4-N,5-dipropylpyrimidine-4,6-diamine
CID 80774677
4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80776680
2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80811308
4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine
CID 80789465
4-N-[1-(2-chlorophenyl)ethyl]-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80809381
4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine
CID 80820218

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-4-N-butyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butan-2-yl-4-N-butyl-5-propylpyrimidine-4,6-diamine (CID 80821387) is 4-N-butan-2-yl-4-N-butyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butan-2-yl-4-N-butyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butan-2-yl-4-N-butyl-5-propylpyrimidine-4,6-diamine is CCCCN(c1ncnc(N)c1CCC)C(C)CC.
What is the InChIKey of 4-N-butan-2-yl-4-N-butyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is QKJXMPGHNRGBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-8-10-19(12(4)7-3)15-13(9-6-2)14(16)17-11-18-15/h11-12H,5-10H2,1-4H3,(H2,16,17,18).
What are the key properties of 4-N-butan-2-yl-4-N-butyl-5-propylpyrimidine-4,6-diamine?
4-N-butan-2-yl-4-N-butyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-4-N-butyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80821387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).