6-(1,3-dihydroisoindol-2-yl)-N-[(3R)-oxan-3-yl]pyrimidin-4-amine

C17H20N4O — CID 129339877

IUPAC6-(1,3-dihydroisoindol-2-yl)-N-[(3R)-oxan-3-yl]pyrimidin-4-amine
SMILESc1ccc2c(c1)CN(c1cc(N[C@@H]3CCCOC3)ncn1)C2
InChIInChI=1S/C17H20N4O/c1-2-5-14-10-21(9-13(14)4-1)17-8-16(18-12-19-17)20-15-6-3-7-22-11-15/h1-2,4-5,8,12,15H,3,6-7,9-11H2,(H,18,19,20)/t15-/m1/s1
InChIKeyPFALGFOUDMOYMW-OAHLLOKOSA-N
MW296.37 g/mol
LogP2.59
Rot. Bonds3

About 6-(1,3-dihydroisoindol-2-yl)-N-[(3R)-oxan-3-yl]pyrimidin-4-amine

6-(1,3-dihydroisoindol-2-yl)-N-[(3R)-oxan-3-yl]pyrimidin-4-amine (PubChem CID 129339877) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-(1,3-dihydroisoindol-2-yl)-N-[(3R)-oxan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3-dihydroisoindol-2-yl)-N-[(3R)-oxan-3-yl]pyrimidin-4-amine
PubChem CID129339877
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name6-(1,3-dihydroisoindol-2-yl)-N-[(3R)-oxan-3-yl]pyrimidin-4-amine
SMILESc1ccc2c(c1)CN(c1cc(N[C@@H]3CCCOC3)ncn1)C2
InChIInChI=1S/C17H20N4O/c1-2-5-14-10-21(9-13(14)4-1)17-8-16(18-12-19-17)20-15-6-3-7-22-11-15/h1-2,4-5,8,12,15H,3,6-7,9-11H2,(H,18,19,20)/t15-/m1/s1
InChIKeyPFALGFOUDMOYMW-OAHLLOKOSA-N
XLogP2.59
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(1,3-dihydroisoindol-2-yl)-N-[(3R)-oxan-3-yl]pyrimidin-4-amine with MolForge

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Related Compounds

1-methyl-4-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]piperazin-2-one
CID 129398746
[(2R)-1-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95758167
(2S)-1-[(2S)-1-[6-[[(3S)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]propan-2-ol
CID 129342990
6-(1,3-dihydroisoindol-2-yl)-N-methylpyrimidin-4-amine
CID 80822585
6-methoxy-N-(oxan-3-yl)pyrimidin-4-amine
CID 66327033
4-[6-(1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]morpholine
CID 122282690
4-N-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
CID 129333350
N-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112855879
N-cyclopropyl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 112854768
4-N-(oxan-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 129005899
6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine
CID 80822758
4-bromo-N-(oxan-3-yl)pyridin-2-amine
CID 130608088

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydroisoindol-2-yl)-N-[(3R)-oxan-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-(1,3-dihydroisoindol-2-yl)-N-[(3R)-oxan-3-yl]pyrimidin-4-amine (CID 129339877) is 6-(1,3-dihydroisoindol-2-yl)-N-[(3R)-oxan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(1,3-dihydroisoindol-2-yl)-N-[(3R)-oxan-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(1,3-dihydroisoindol-2-yl)-N-[(3R)-oxan-3-yl]pyrimidin-4-amine is c1ccc2c(c1)CN(c1cc(N[C@@H]3CCCOC3)ncn1)C2.
What is the InChIKey of 6-(1,3-dihydroisoindol-2-yl)-N-[(3R)-oxan-3-yl]pyrimidin-4-amine?
The InChIKey is PFALGFOUDMOYMW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N4O/c1-2-5-14-10-21(9-13(14)4-1)17-8-16(18-12-19-17)20-15-6-3-7-22-11-15/h1-2,4-5,8,12,15H,3,6-7,9-11H2,(H,18,19,20)/t15-/m1/s1.
What are the key properties of 6-(1,3-dihydroisoindol-2-yl)-N-[(3R)-oxan-3-yl]pyrimidin-4-amine?
6-(1,3-dihydroisoindol-2-yl)-N-[(3R)-oxan-3-yl]pyrimidin-4-amine has a molecular weight of 296.37 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dihydroisoindol-2-yl)-N-[(3R)-oxan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 129339877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).