4,6-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine

C16H21N3O2 — CID 115355071

IUPAC4,6-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H21N3O2/c1-11(2)13-7-5-12(6-8-13)10-17-16-18-14(20-3)9-15(19-16)21-4/h5-9,11H,10H2,1-4H3,(H,17,18,19)
InChIKeySAWFICVIIILWCA-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.23
Rot. Bonds6

About 4,6-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine

4,6-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine (PubChem CID 115355071) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
PubChem CID115355071
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4,6-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H21N3O2/c1-11(2)13-7-5-12(6-8-13)10-17-16-18-14(20-3)9-15(19-16)21-4/h5-9,11H,10H2,1-4H3,(H,17,18,19)
InChIKeySAWFICVIIILWCA-UHFFFAOYSA-N
XLogP3.23
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 115974875
(1R)-1-[4-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]ethanol
CID 94197015
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
[3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]phenyl]methanol
CID 115355459
3-N,5-N-bis[(4-propan-2-ylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
CID 7325539
5-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 63208033
2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 28543653
N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine
CID 118954417
4-methoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 112690994
N-[(4-propan-2-ylphenyl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204232
N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 115626945
1-[(4-chlorophenyl)methyl]-3-(4,6-dimethoxypyrimidin-2-yl)thiourea
CID 100781397

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine (CID 115355071) is 4,6-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine is COc1cc(OC)nc(NCc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 4,6-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine?
The InChIKey is SAWFICVIIILWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)13-7-5-12(6-8-13)10-17-16-18-14(20-3)9-15(19-16)21-4/h5-9,11H,10H2,1-4H3,(H,17,18,19).
What are the key properties of 4,6-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine?
4,6-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine has a molecular weight of 287.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 115355071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).