4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine

C15H28N4 — CID 106028699

IUPAC4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine
SMILESCCCCC(CCC)Nc1cc(N)nc(CCC)n1
InChIInChI=1S/C15H28N4/c1-4-7-10-12(8-5-2)17-15-11-13(16)18-14(19-15)9-6-3/h11-12H,4-10H2,1-3H3,(H3,16,17,18,19)
InChIKeyRKALAMAGKBKJOW-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.78
Rot. Bonds9

About 4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine

4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine (PubChem CID 106028699) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine
PubChem CID106028699
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine
SMILESCCCCC(CCC)Nc1cc(N)nc(CCC)n1
InChIInChI=1S/C15H28N4/c1-4-7-10-12(8-5-2)17-15-11-13(16)18-14(19-15)9-6-3/h11-12H,4-10H2,1-3H3,(H3,16,17,18,19)
InChIKeyRKALAMAGKBKJOW-UHFFFAOYSA-N
XLogP3.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028697
4-N-hexan-2-yl-2-propylpyrimidine-4,6-diamine
CID 80954835
2-ethyl-6-N-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028873
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
CID 113401520
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
6-N-ethyl-2-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028897
ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80954453
methyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80955368
2-propylpyrimidine-4,6-diamine
CID 67304918
2-ethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80933934
3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80954273

Frequently Asked Questions

What is the IUPAC name of 4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine (CID 106028699) is 4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine is CCCCC(CCC)Nc1cc(N)nc(CCC)n1.
What is the InChIKey of 4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine?
The InChIKey is RKALAMAGKBKJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-7-10-12(8-5-2)17-15-11-13(16)18-14(19-15)9-6-3/h11-12H,4-10H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine?
4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 106028699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).