N-[(3S)-oxolan-3-yl]pyrimidin-2-amine

C8H11N3O — CID 175803601

IUPACN-[(3S)-oxolan-3-yl]pyrimidin-2-amine
SMILESc1cnc(N[C@H]2CCOC2)nc1
InChIInChI=1S/C8H11N3O/c1-3-9-8(10-4-1)11-7-2-5-12-6-7/h1,3-4,7H,2,5-6H2,(H,9,10,11)/t7-/m0/s1
InChIKeyDFJWNRCGAPPNDC-ZETCQYMHSA-N
MW165.20 g/mol
LogP0.68
Rot. Bonds2

About N-[(3S)-oxolan-3-yl]pyrimidin-2-amine

N-[(3S)-oxolan-3-yl]pyrimidin-2-amine (PubChem CID 175803601) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is N-[(3S)-oxolan-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3S)-oxolan-3-yl]pyrimidin-2-amine
PubChem CID175803601
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC NameN-[(3S)-oxolan-3-yl]pyrimidin-2-amine
SMILESc1cnc(N[C@H]2CCOC2)nc1
InChIInChI=1S/C8H11N3O/c1-3-9-8(10-4-1)11-7-2-5-12-6-7/h1,3-4,7H,2,5-6H2,(H,9,10,11)/t7-/m0/s1
InChIKeyDFJWNRCGAPPNDC-ZETCQYMHSA-N
XLogP0.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-4-yl)pyrimidin-2-amine;propane
CID 144986361
5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 169018423
5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine
CID 127015469
N-cyclobutylpyrimidin-2-amine
CID 45080152
N-[(3R)-oxolan-3-yl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 95558339
2-N-(oxolan-3-yl)pyridine-2,4-diamine
CID 80717438
4-bromo-N-(oxan-3-yl)pyrimidin-2-amine
CID 115048116
N-(oxolan-3-yl)pyridin-3-amine
CID 63331715
2-[[(3S)-oxolan-3-yl]amino]pyridine-3-carboxamide
CID 139960156
5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 131122958
4-(2,3-dihydroindol-1-yl)-N-[(3R)-oxolan-3-yl]pyrimidin-2-amine
CID 129086091
4-(3-aminopyrrolidin-1-yl)-N-(oxolan-3-yl)pyrimidin-2-amine
CID 76709052

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-oxolan-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[(3S)-oxolan-3-yl]pyrimidin-2-amine (CID 175803601) is N-[(3S)-oxolan-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[(3S)-oxolan-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[(3S)-oxolan-3-yl]pyrimidin-2-amine is c1cnc(N[C@H]2CCOC2)nc1.
What is the InChIKey of N-[(3S)-oxolan-3-yl]pyrimidin-2-amine?
The InChIKey is DFJWNRCGAPPNDC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11N3O/c1-3-9-8(10-4-1)11-7-2-5-12-6-7/h1,3-4,7H,2,5-6H2,(H,9,10,11)/t7-/m0/s1.
What are the key properties of N-[(3S)-oxolan-3-yl]pyrimidin-2-amine?
N-[(3S)-oxolan-3-yl]pyrimidin-2-amine has a molecular weight of 165.20 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 N-[(3S)-oxolan-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 175803601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).