4-methyl-N-propyl-3-(6-propylpyrimidin-4-yl)pentan-2-amine

C16H29N3 — CID 63197188

IUPAC4-methyl-N-propyl-3-(6-propylpyrimidin-4-yl)pentan-2-amine
SMILESCCCNC(C)C(c1cc(CCC)ncn1)C(C)C
InChIInChI=1S/C16H29N3/c1-6-8-14-10-15(19-11-18-14)16(12(3)4)13(5)17-9-7-2/h10-13,16-17H,6-9H2,1-5H3
InChIKeyNWJIXQJVSTZUGL-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.56
Rot. Bonds8

About 4-methyl-N-propyl-3-(6-propylpyrimidin-4-yl)pentan-2-amine

4-methyl-N-propyl-3-(6-propylpyrimidin-4-yl)pentan-2-amine (PubChem CID 63197188) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-methyl-N-propyl-3-(6-propylpyrimidin-4-yl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-propyl-3-(6-propylpyrimidin-4-yl)pentan-2-amine
PubChem CID63197188
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name4-methyl-N-propyl-3-(6-propylpyrimidin-4-yl)pentan-2-amine
SMILESCCCNC(C)C(c1cc(CCC)ncn1)C(C)C
InChIInChI=1S/C16H29N3/c1-6-8-14-10-15(19-11-18-14)16(12(3)4)13(5)17-9-7-2/h10-13,16-17H,6-9H2,1-5H3
InChIKeyNWJIXQJVSTZUGL-UHFFFAOYSA-N
XLogP3.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dimethylpyrimidin-4-yl)-4-methyl-N-propylpentan-2-amine
CID 55162966
2-(6-ethylpyrimidin-4-yl)-N-propylpentan-3-amine
CID 63559776
N-ethyl-4-methyl-3-pyrimidin-4-ylpentan-2-amine
CID 63198027
3-(6-ethoxypyrimidin-4-yl)-N,4-dimethylpentan-2-amine
CID 66318350
1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine
CID 63251185
1-(6-ethylpyrimidin-4-yl)-N-propylpropan-2-amine
CID 63200666
4-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-propylpentan-2-amine
CID 63197670
4-ethyl-6-propan-2-ylpyrimidine
CID 88990217
N-(2-methylbutyl)-6-propylpyrimidin-4-amine
CID 62694370
1-(6-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 63202291
N-(5-methylhexan-2-yl)-6-propylpyrimidin-4-amine
CID 63926924
4-(2-chlorobutyl)-6-propylpyrimidine
CID 63203080

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propyl-3-(6-propylpyrimidin-4-yl)pentan-2-amine?
The IUPAC name of 4-methyl-N-propyl-3-(6-propylpyrimidin-4-yl)pentan-2-amine (CID 63197188) is 4-methyl-N-propyl-3-(6-propylpyrimidin-4-yl)pentan-2-amine.
What is the SMILES notation for 4-methyl-N-propyl-3-(6-propylpyrimidin-4-yl)pentan-2-amine?
The canonical SMILES for 4-methyl-N-propyl-3-(6-propylpyrimidin-4-yl)pentan-2-amine is CCCNC(C)C(c1cc(CCC)ncn1)C(C)C.
What is the InChIKey of 4-methyl-N-propyl-3-(6-propylpyrimidin-4-yl)pentan-2-amine?
The InChIKey is NWJIXQJVSTZUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-6-8-14-10-15(19-11-18-14)16(12(3)4)13(5)17-9-7-2/h10-13,16-17H,6-9H2,1-5H3.
What are the key properties of 4-methyl-N-propyl-3-(6-propylpyrimidin-4-yl)pentan-2-amine?
4-methyl-N-propyl-3-(6-propylpyrimidin-4-yl)pentan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyl-3-(6-propylpyrimidin-4-yl)pentan-2-amine is sourced from PubChem (CID 63197188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).