2-benzyl-N-[(2S,3R)-2-methyloxolan-3-yl]pyrimidin-4-amine

C16H19N3O — CID 99718859

IUPAC2-benzyl-N-[(2S,3R)-2-methyloxolan-3-yl]pyrimidin-4-amine
SMILESC[C@@H]1OCC[C@H]1Nc1ccnc(Cc2ccccc2)n1
InChIInChI=1S/C16H19N3O/c1-12-14(8-10-20-12)18-15-7-9-17-16(19-15)11-13-5-3-2-4-6-13/h2-7,9,12,14H,8,10-11H2,1H3,(H,17,18,19)/t12-,14+/m0/s1
InChIKeyIHVPUIYEZOIGPC-GXTWGEPZSA-N
MW269.35 g/mol
LogP2.66
Rot. Bonds4

About 2-benzyl-N-[(2S,3R)-2-methyloxolan-3-yl]pyrimidin-4-amine

2-benzyl-N-[(2S,3R)-2-methyloxolan-3-yl]pyrimidin-4-amine (PubChem CID 99718859) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-benzyl-N-[(2S,3R)-2-methyloxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-N-[(2S,3R)-2-methyloxolan-3-yl]pyrimidin-4-amine
PubChem CID99718859
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-benzyl-N-[(2S,3R)-2-methyloxolan-3-yl]pyrimidin-4-amine
SMILESC[C@@H]1OCC[C@H]1Nc1ccnc(Cc2ccccc2)n1
InChIInChI=1S/C16H19N3O/c1-12-14(8-10-20-12)18-15-7-9-17-16(19-15)11-13-5-3-2-4-6-13/h2-7,9,12,14H,8,10-11H2,1H3,(H,17,18,19)/t12-,14+/m0/s1
InChIKeyIHVPUIYEZOIGPC-GXTWGEPZSA-N
XLogP2.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]pyrimidin-4-amine
CID 128993386
2-benzyl-N-[2-(5-methyloxolan-2-yl)ethyl]pyrimidin-4-amine
CID 166384238
2-benzyl-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]pyrimidin-4-amine
CID 99718666
6-fluoro-N-[(2R,3R)-2-methyloxolan-3-yl]pyridin-2-amine
CID 130608593
2-benzyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]pyrimidin-4-amine
CID 133443170
4-bromo-N-(2-methyloxolan-3-yl)pyridin-2-amine
CID 130891045
N-(2-methyloxolan-3-yl)pyridazin-3-amine
CID 82728832
N-(2-benzylpyrimidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133443339
2-[(2-methyloxolan-3-yl)amino]quinoline-5-carboxylic acid
CID 82728278
N-(2-benzylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 167805230
4-N-(2-methyloxolan-3-yl)-2-propylpyrimidine-4,6-diamine
CID 82736136
4-N-(2-methyloxolan-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 115915747

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(2S,3R)-2-methyloxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-N-[(2S,3R)-2-methyloxolan-3-yl]pyrimidin-4-amine (CID 99718859) is 2-benzyl-N-[(2S,3R)-2-methyloxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-N-[(2S,3R)-2-methyloxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-N-[(2S,3R)-2-methyloxolan-3-yl]pyrimidin-4-amine is C[C@@H]1OCC[C@H]1Nc1ccnc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-N-[(2S,3R)-2-methyloxolan-3-yl]pyrimidin-4-amine?
The InChIKey is IHVPUIYEZOIGPC-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-14(8-10-20-12)18-15-7-9-17-16(19-15)11-13-5-3-2-4-6-13/h2-7,9,12,14H,8,10-11H2,1H3,(H,17,18,19)/t12-,14+/m0/s1.
What are the key properties of 2-benzyl-N-[(2S,3R)-2-methyloxolan-3-yl]pyrimidin-4-amine?
2-benzyl-N-[(2S,3R)-2-methyloxolan-3-yl]pyrimidin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(2S,3R)-2-methyloxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 99718859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).