6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine

C12H19N3O — CID 126724583

IUPAC6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine
SMILESCC(C)(C)c1cc(N[C@H]2CCOC2)ncn1
InChIInChI=1S/C12H19N3O/c1-12(2,3)10-6-11(14-8-13-10)15-9-4-5-16-7-9/h6,8-9H,4-5,7H2,1-3H3,(H,13,14,15)/t9-/m0/s1
InChIKeyOFRACOVHXUUECT-VIFPVBQESA-N
MW221.30 g/mol
LogP1.97
Rot. Bonds2

About 6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine

6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 126724583) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID126724583
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine
SMILESCC(C)(C)c1cc(N[C@H]2CCOC2)ncn1
InChIInChI=1S/C12H19N3O/c1-12(2,3)10-6-11(14-8-13-10)15-9-4-5-16-7-9/h6,8-9H,4-5,7H2,1-3H3,(H,13,14,15)/t9-/m0/s1
InChIKeyOFRACOVHXUUECT-VIFPVBQESA-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

6-tert-butyl-N-cyclopropylpyrimidin-4-amine
CID 126849020
6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine
CID 80713528
6-methoxy-N-(oxan-3-yl)pyrimidin-4-amine
CID 66327033
6-N-(2-methyl-2-methylsulfanylpropyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
CID 129333149
4-[(6-tert-butylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide
CID 126724613
5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 169018423
4-N-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
CID 129333350
6-hydrazinyl-N-(oxan-4-yl)pyrimidin-4-amine
CID 80907012
[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclobutylmethanone
CID 118546922
6-N-(oxan-4-yl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265760
2-N-(oxolan-3-yl)pyridine-2,4-diamine
CID 80717438
2-methyl-1-methylsulfanyl-3-[[6-(oxan-3-ylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 128992657

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine (CID 126724583) is 6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine is CC(C)(C)c1cc(N[C@H]2CCOC2)ncn1.
What is the InChIKey of 6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is OFRACOVHXUUECT-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,3)10-6-11(14-8-13-10)15-9-4-5-16-7-9/h6,8-9H,4-5,7H2,1-3H3,(H,13,14,15)/t9-/m0/s1.
What are the key properties of 6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-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 6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 126724583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).