N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine

C8H12N4O — CID 66319421

IUPACN-(azetidin-3-yl)-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CNC2)ncn1
InChIInChI=1S/C8H12N4O/c1-13-8-2-7(10-5-11-8)12-6-3-9-4-6/h2,5-6,9H,3-4H2,1H3,(H,10,11,12)
InChIKeyDZJHKWZOZFNOKS-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.13
Rot. Bonds3

About N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine

N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine (PubChem CID 66319421) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-6-methoxypyrimidin-4-amine
PubChem CID66319421
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN-(azetidin-3-yl)-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CNC2)ncn1
InChIInChI=1S/C8H12N4O/c1-13-8-2-7(10-5-11-8)12-6-3-9-4-6/h2,5-6,9H,3-4H2,1H3,(H,10,11,12)
InChIKeyDZJHKWZOZFNOKS-UHFFFAOYSA-N
XLogP-0.13
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 66319414
N-(3,5-dimethylcyclohexyl)-6-methoxypyrimidin-4-amine
CID 66326824
4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine
CID 66318521
N-(azetidin-3-yl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66331245
6-methoxy-N-(oxan-3-yl)pyrimidin-4-amine
CID 66327033
6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 66319236
6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888036
6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine
CID 66319465
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888037
cis-(1R,3S)-3-[(6-methoxypyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 106322063
3-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one
CID 126888237
N-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine
CID 165432113

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine?
The IUPAC name of N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine (CID 66319421) is N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine is COc1cc(NC2CNC2)ncn1.
What is the InChIKey of N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine?
The InChIKey is DZJHKWZOZFNOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-13-8-2-7(10-5-11-8)12-6-3-9-4-6/h2,5-6,9H,3-4H2,1H3,(H,10,11,12).
What are the key properties of N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine?
N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine has a molecular weight of 180.21 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 66319421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).