2-(4-methoxypyrimidin-2-yl)propan-2-amine

C8H13N3O — CID 126980299

IUPAC2-(4-methoxypyrimidin-2-yl)propan-2-amine
SMILESCOc1ccnc(C(C)(C)N)n1
InChIInChI=1S/C8H13N3O/c1-8(2,9)7-10-5-4-6(11-7)12-3/h4-5H,9H2,1-3H3
InChIKeyCIFGPZLIBVSEQC-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.68
Rot. Bonds2

About 2-(4-methoxypyrimidin-2-yl)propan-2-amine

2-(4-methoxypyrimidin-2-yl)propan-2-amine (PubChem CID 126980299) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(4-methoxypyrimidin-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(4-methoxypyrimidin-2-yl)propan-2-amine
PubChem CID126980299
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(4-methoxypyrimidin-2-yl)propan-2-amine
SMILESCOc1ccnc(C(C)(C)N)n1
InChIInChI=1S/C8H13N3O/c1-8(2,9)7-10-5-4-6(11-7)12-3/h4-5H,9H2,1-3H3
InChIKeyCIFGPZLIBVSEQC-UHFFFAOYSA-N
XLogP0.68
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methoxy-5-methylphenyl)pyrimidin-2-yl]propan-2-amine
CID 116897642
1-(4-methoxypyrimidin-2-yl)-3,3-dimethylbutan-2-one
CID 63199342
2-[4-(4-bromophenyl)pyrimidin-2-yl]propan-2-amine
CID 116897638
2-(4-cyclobutylpyrimidin-2-yl)propan-2-amine
CID 116897705
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
4-methoxy-N-(2-methoxy-2-methylpropyl)pyrimidin-2-amine
CID 115658463
N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine
CID 131107592
1-[(6-methoxy-2-pyridinyl)oxy]-2-methylpropan-2-amine
CID 64538391
2-ethoxy-4-methoxypyrimidine
CID 119088608
2-dimethylphosphoryl-4-methoxypyrimidine
CID 175558175
2-[(4-tert-butylphenyl)methoxy]-4-methoxypyrimidine
CID 167427720
2-(6,7-dimethoxyisoquinolin-1-yl)propan-2-amine
CID 116995177

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypyrimidin-2-yl)propan-2-amine?
The IUPAC name of 2-(4-methoxypyrimidin-2-yl)propan-2-amine (CID 126980299) is 2-(4-methoxypyrimidin-2-yl)propan-2-amine.
What is the SMILES notation for 2-(4-methoxypyrimidin-2-yl)propan-2-amine?
The canonical SMILES for 2-(4-methoxypyrimidin-2-yl)propan-2-amine is COc1ccnc(C(C)(C)N)n1.
What is the InChIKey of 2-(4-methoxypyrimidin-2-yl)propan-2-amine?
The InChIKey is CIFGPZLIBVSEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-8(2,9)7-10-5-4-6(11-7)12-3/h4-5H,9H2,1-3H3.
What are the key properties of 2-(4-methoxypyrimidin-2-yl)propan-2-amine?
2-(4-methoxypyrimidin-2-yl)propan-2-amine has a molecular weight of 167.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypyrimidin-2-yl)propan-2-amine is sourced from PubChem (CID 126980299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).