2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine

C12H17N5O — CID 164631259

IUPAC2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1cnc([C@H](C)Nc2ccnc(N(C)C)n2)o1
InChIInChI=1S/C12H17N5O/c1-8-7-14-11(18-8)9(2)15-10-5-6-13-12(16-10)17(3)4/h5-7,9H,1-4H3,(H,13,15,16)/t9-/m0/s1
InChIKeyRUYABTSKKWNTCM-VIFPVBQESA-N
MW247.30 g/mol
LogP2.01
Rot. Bonds4

About 2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine

2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 164631259) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID164631259
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1cnc([C@H](C)Nc2ccnc(N(C)C)n2)o1
InChIInChI=1S/C12H17N5O/c1-8-7-14-11(18-8)9(2)15-10-5-6-13-12(16-10)17(3)4/h5-7,9H,1-4H3,(H,13,15,16)/t9-/m0/s1
InChIKeyRUYABTSKKWNTCM-VIFPVBQESA-N
XLogP2.01
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-butyl-5-(1,3-oxazol-2-ylmethoxy)pyrimidine-2,4-diamine
CID 155531333
5-Tert-butyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 52163017
N~5~-[(3S,4R)-4-[(Dimethylamino)methyl]-1-(4-pyrimidinyl)tetrahydro-1H-pyrrol-3-YL]-1,3-oxazole-5-carboxamide
CID 91923172
6-ethoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 86797758
1-[(5-Ethyl-1,3-oxazol-2-yl)methyl]-3-[2-(1-methylcyclopropyl)pyrimidin-4-yl]urea
CID 126831085
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103718664
5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-2-amine
CID 103826185
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103946638
5-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 103946675
5-fluoro-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 103946693
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 104969953
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluoropyrimidin-4-amine
CID 106375375

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine (CID 164631259) is 2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine is Cc1cnc([C@H](C)Nc2ccnc(N(C)C)n2)o1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is RUYABTSKKWNTCM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-7-14-11(18-8)9(2)15-10-5-6-13-12(16-10)17(3)4/h5-7,9H,1-4H3,(H,13,15,16)/t9-/m0/s1.
What are the key properties of 2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine?
2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 247.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 164631259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).