6-(azetidin-3-yloxy)-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine

C16H18N4O — CID 165146876

IUPAC6-(azetidin-3-yloxy)-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine
SMILESc1ccc2c(c1)CC(Nc1cc(OC3CNC3)ncn1)C2
InChIInChI=1S/C16H18N4O/c1-2-4-12-6-13(5-11(12)3-1)20-15-7-16(19-10-18-15)21-14-8-17-9-14/h1-4,7,10,13-14,17H,5-6,8-9H2,(H,18,19,20)
InChIKeySKEDYLCKCMVQDG-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.41
Rot. Bonds4

About 6-(azetidin-3-yloxy)-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine

6-(azetidin-3-yloxy)-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine (PubChem CID 165146876) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-(azetidin-3-yloxy)-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(azetidin-3-yloxy)-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine
PubChem CID165146876
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name6-(azetidin-3-yloxy)-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine
SMILESc1ccc2c(c1)CC(Nc1cc(OC3CNC3)ncn1)C2
InChIInChI=1S/C16H18N4O/c1-2-4-12-6-13(5-11(12)3-1)20-15-7-16(19-10-18-15)21-14-8-17-9-14/h1-4,7,10,13-14,17H,5-6,8-9H2,(H,18,19,20)
InChIKeySKEDYLCKCMVQDG-UHFFFAOYSA-N
XLogP1.41
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine
CID 66319421
(1S,2S,4R)-4-[6-[[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]oxy-2-methylcyclopentan-1-ol
CID 123573143
6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-4-carboxylic acid
CID 165146859
6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 66319414
6-N-(azetidin-3-yl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 115264124
6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 66319236
4-N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]pyrimidine-4,6-diamine
CID 95895184
6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine
CID 66319465
2-(azetidin-3-yloxy)-4-fluoropyridine
CID 164664024
N-(3,5-dimethylcyclohexyl)-6-methoxypyrimidin-4-amine
CID 66326824
N-(3,5-dimethylcyclohexyl)-6-ethoxypyrimidin-4-amine
CID 66330405
N-(2,3-dihydro-1H-inden-2-yl)-5-methylpyridazin-3-amine
CID 114009022

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-yloxy)-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-(azetidin-3-yloxy)-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine (CID 165146876) is 6-(azetidin-3-yloxy)-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(azetidin-3-yloxy)-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(azetidin-3-yloxy)-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine is c1ccc2c(c1)CC(Nc1cc(OC3CNC3)ncn1)C2.
What is the InChIKey of 6-(azetidin-3-yloxy)-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine?
The InChIKey is SKEDYLCKCMVQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-4-12-6-13(5-11(12)3-1)20-15-7-16(19-10-18-15)21-14-8-17-9-14/h1-4,7,10,13-14,17H,5-6,8-9H2,(H,18,19,20).
What are the key properties of 6-(azetidin-3-yloxy)-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine?
6-(azetidin-3-yloxy)-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine has a molecular weight of 282.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-yloxy)-N-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 165146876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).