N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine

C14H22N4O — CID 95122382

IUPACN-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCC1=NO[C@H](CNc2cc(C(C)C)nc(C)n2)C1
InChIInChI=1S/C14H22N4O/c1-5-11-6-12(19-18-11)8-15-14-7-13(9(2)3)16-10(4)17-14/h7,9,12H,5-6,8H2,1-4H3,(H,15,16,17)/t12-/m0/s1
InChIKeyXAEBIHHLNLWTPE-LBPRGKRZSA-N
MW262.36 g/mol
LogP2.88
Rot. Bonds5

About N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine

N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 95122382) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID95122382
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCC1=NO[C@H](CNc2cc(C(C)C)nc(C)n2)C1
InChIInChI=1S/C14H22N4O/c1-5-11-6-12(19-18-11)8-15-14-7-13(9(2)3)16-10(4)17-14/h7,9,12H,5-6,8H2,1-4H3,(H,15,16,17)/t12-/m0/s1
InChIKeyXAEBIHHLNLWTPE-LBPRGKRZSA-N
XLogP2.88
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine with MolForge

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Related Compounds

N-ethyl-2-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62191118
2-methyl-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 94076556
2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 110277770
2-methyl-6-propan-2-yl-N-[(1-prop-2-enylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 50977340
5-ethyl-2-methyl-N-[(3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrimidin-4-amine
CID 50971412
2-methyl-6-propan-2-yl-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]pyrimidin-4-amine
CID 50956790
2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870060
6-ethyl-2-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419264
2-(2-methylcyclopropyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65419575
2-methyl-6-propan-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine
CID 50962885
4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106130133
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine (CID 95122382) is N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine is CCC1=NO[C@H](CNc2cc(C(C)C)nc(C)n2)C1.
What is the InChIKey of N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is XAEBIHHLNLWTPE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N4O/c1-5-11-6-12(19-18-11)8-15-14-7-13(9(2)3)16-10(4)17-14/h7,9,12H,5-6,8H2,1-4H3,(H,15,16,17)/t12-/m0/s1.
What are the key properties of N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine?
N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 262.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 95122382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).