5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine

C12H19N3O — CID 169018423

IUPAC5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine
SMILESCC(C)(C)c1cnc(NC2CCOC2)nc1
InChIInChI=1S/C12H19N3O/c1-12(2,3)9-6-13-11(14-7-9)15-10-4-5-16-8-10/h6-7,10H,4-5,8H2,1-3H3,(H,13,14,15)
InChIKeyZHJVETZPGQDWNC-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.97
Rot. Bonds2

About 5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine

5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine (PubChem CID 169018423) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine
PubChem CID169018423
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine
SMILESCC(C)(C)c1cnc(NC2CCOC2)nc1
InChIInChI=1S/C12H19N3O/c1-12(2,3)9-6-13-11(14-7-9)15-10-4-5-16-8-10/h6-7,10H,4-5,8H2,1-3H3,(H,13,14,15)
InChIKeyZHJVETZPGQDWNC-UHFFFAOYSA-N
XLogP1.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 175803601
5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine
CID 127015469
5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 131122958
2-(oxan-3-ylamino)pyrimidine-5-carboxylic acid
CID 115033816
5-methyl-N-(oxolan-3-yl)-1H-imidazol-2-amine
CID 106577304
5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116974701
6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126724583
2-N-ethyl-5-methyl-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 80853565
4-tert-butyl-5-chloro-N-(oxan-4-yl)pyrimidin-2-amine
CID 158554161
5-methyl-4-N-(oxolan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80853655
5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]-N-(oxolan-3-yl)pyrimidin-2-amine
CID 145168801
N-(oxolan-3-yl)pyrimidin-5-amine
CID 83480544

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine (CID 169018423) is 5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine is CC(C)(C)c1cnc(NC2CCOC2)nc1.
What is the InChIKey of 5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine?
The InChIKey is ZHJVETZPGQDWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,3)9-6-13-11(14-7-9)15-10-4-5-16-8-10/h6-7,10H,4-5,8H2,1-3H3,(H,13,14,15).
What are the key properties of 5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine?
5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 169018423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).