N,5,6-trimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine

C16H21N3O — CID 62495779

IUPACN,5,6-trimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine
SMILESCCCOc1ccc(-c2nc(C)c(C)c(NC)n2)cc1
InChIInChI=1S/C16H21N3O/c1-5-10-20-14-8-6-13(7-9-14)16-18-12(3)11(2)15(17-4)19-16/h6-9H,5,10H2,1-4H3,(H,17,18,19)
InChIKeyBYUROQYJKUMVRQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.59
Rot. Bonds5

About N,5,6-trimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine

N,5,6-trimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine (PubChem CID 62495779) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N,5,6-trimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,5,6-trimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine
PubChem CID62495779
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN,5,6-trimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine
SMILESCCCOc1ccc(-c2nc(C)c(C)c(NC)n2)cc1
InChIInChI=1S/C16H21N3O/c1-5-10-20-14-8-6-13(7-9-14)16-18-12(3)11(2)15(17-4)19-16/h6-9H,5,10H2,1-4H3,(H,17,18,19)
InChIKeyBYUROQYJKUMVRQ-UHFFFAOYSA-N
XLogP3.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62496442
N,6-dimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine
CID 62495443
4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine
CID 63612833
2-(4-butoxyphenyl)-4-chloro-5,6-dimethylpyrimidine
CID 82168908
N,2,5-trimethyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80874986
N,5,6-trimethyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 104823338
4,6-dichloro-2-(4-propoxyphenyl)pyrimidine
CID 63612097
N-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 62192547
2-(4-ethoxyphenyl)-5,6-dimethylpyrimidin-4-amine
CID 55045308
[2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62495287
N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71179891
2-(2-ethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 62202263

Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine?
The IUPAC name of N,5,6-trimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine (CID 62495779) is N,5,6-trimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for N,5,6-trimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for N,5,6-trimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine is CCCOc1ccc(-c2nc(C)c(C)c(NC)n2)cc1.
What is the InChIKey of N,5,6-trimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine?
The InChIKey is BYUROQYJKUMVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-10-20-14-8-6-13(7-9-14)16-18-12(3)11(2)15(17-4)19-16/h6-9H,5,10H2,1-4H3,(H,17,18,19).
What are the key properties of N,5,6-trimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine?
N,5,6-trimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 62495779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).