4,6-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine

C14H20N4O — CID 50959013

IUPAC4,6-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCc2cc(CC(C)C)no2)n1
InChIInChI=1S/C14H20N4O/c1-9(2)5-12-7-13(19-18-12)8-15-14-16-10(3)6-11(4)17-14/h6-7,9H,5,8H2,1-4H3,(H,15,16,17)
InChIKeyKVRMVVCGBKCKLV-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.89
Rot. Bonds5

About 4,6-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine

4,6-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine (PubChem CID 50959013) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4,6-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine
PubChem CID50959013
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4,6-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCc2cc(CC(C)C)no2)n1
InChIInChI=1S/C14H20N4O/c1-9(2)5-12-7-13(19-18-12)8-15-14-16-10(3)6-11(4)17-14/h6-7,9H,5,8H2,1-4H3,(H,15,16,17)
InChIKeyKVRMVVCGBKCKLV-UHFFFAOYSA-N
XLogP2.89
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine
CID 112637367
3-chloro-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyridin-2-amine
CID 134713419
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 138383237
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide
CID 46993283
2,5,6-trimethyl-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]pyrimidin-4-amine
CID 72897962
6-(3-aminocyclobutyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-4-amine;dihydrochloride
CID 154903401
1,5-dimethyl-4-[[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylamino]methyl]pyrrole-2-carbonitrile
CID 131929749
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylacetamide
CID 91789465
N'-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylpropyl)propane-1,3-diamine
CID 102536542
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 11588399
4-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62862594
1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]ethanamine
CID 114420316

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine (CID 50959013) is 4,6-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine is Cc1cc(C)nc(NCc2cc(CC(C)C)no2)n1.
What is the InChIKey of 4,6-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine?
The InChIKey is KVRMVVCGBKCKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9(2)5-12-7-13(19-18-12)8-15-14-16-10(3)6-11(4)17-14/h6-7,9H,5,8H2,1-4H3,(H,15,16,17).
What are the key properties of 4,6-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine?
4,6-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 50959013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).