6-N-(4-butylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine

C18H27N5O — CID 22540147

IUPAC6-N-(4-butylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
SMILESCCCCc1ccc(Nc2ncnc(NC(C)COC)c2N)cc1
InChIInChI=1S/C18H27N5O/c1-4-5-6-14-7-9-15(10-8-14)23-18-16(19)17(20-12-21-18)22-13(2)11-24-3/h7-10,12-13H,4-6,11,19H2,1-3H3,(H2,20,21,22,23)
InChIKeyYBYDZIOOASBKHS-UHFFFAOYSA-N
MW329.45 g/mol
LogP3.59
Rot. Bonds9

About 6-N-(4-butylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine

6-N-(4-butylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine (PubChem CID 22540147) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 6-N-(4-butylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(4-butylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
PubChem CID22540147
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name6-N-(4-butylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
SMILESCCCCc1ccc(Nc2ncnc(NC(C)COC)c2N)cc1
InChIInChI=1S/C18H27N5O/c1-4-5-6-14-7-9-15(10-8-14)23-18-16(19)17(20-12-21-18)22-13(2)11-24-3/h7-10,12-13H,4-6,11,19H2,1-3H3,(H2,20,21,22,23)
InChIKeyYBYDZIOOASBKHS-UHFFFAOYSA-N
XLogP3.59
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-butyl-N-(1-methoxypropan-2-yl)aniline
CID 62536026
4-N,6-N-bis(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 19154117
6-N-butyl-4-N-(4-butylphenyl)pyrimidine-4,5,6-triamine
CID 22539974
6-N-(4-butylphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 22540135
4-N-(1-methoxypropan-2-yl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145512
4-N-(1-methoxypropan-2-yl)-6-N-propylpyrimidine-4,5,6-triamine
CID 19135526
4-N-(4-butoxyphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544296
4-N-(4-butylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80780181
6-N-(4-butylphenyl)-4-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
CID 22540036
6-N-(4-butylphenyl)-4-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine
CID 22540062
4-N-(1-methoxypropan-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144412
6-N-(2-methoxy-5-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 22541991

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-butylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(4-butylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine (CID 22540147) is 6-N-(4-butylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(4-butylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(4-butylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine is CCCCc1ccc(Nc2ncnc(NC(C)COC)c2N)cc1.
What is the InChIKey of 6-N-(4-butylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine?
The InChIKey is YBYDZIOOASBKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-4-5-6-14-7-9-15(10-8-14)23-18-16(19)17(20-12-21-18)22-13(2)11-24-3/h7-10,12-13H,4-6,11,19H2,1-3H3,(H2,20,21,22,23).
What are the key properties of 6-N-(4-butylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine?
6-N-(4-butylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine has a molecular weight of 329.45 g/mol, XLogP of 3.59, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-butylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22540147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).