4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine

C14H16N6O — CID 46995160

IUPAC4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine
SMILESCc1nn(C)cc1-c1ccnc(N(C)Cc2ccon2)n1
InChIInChI=1S/C14H16N6O/c1-10-12(9-20(3)17-10)13-4-6-15-14(16-13)19(2)8-11-5-7-21-18-11/h4-7,9H,8H2,1-3H3
InChIKeyBPPLGTJOEMUXJA-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.81
Rot. Bonds4

About 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine

4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine (PubChem CID 46995160) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine
PubChem CID46995160
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine
SMILESCc1nn(C)cc1-c1ccnc(N(C)Cc2ccon2)n1
InChIInChI=1S/C14H16N6O/c1-10-12(9-20(3)17-10)13-4-6-15-14(16-13)19(2)8-11-5-7-21-18-11/h4-7,9H,8H2,1-3H3
InChIKeyBPPLGTJOEMUXJA-UHFFFAOYSA-N
XLogP1.81
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine (CID 46995160) is 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine is Cc1nn(C)cc1-c1ccnc(N(C)Cc2ccon2)n1.
What is the InChIKey of 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine?
The InChIKey is BPPLGTJOEMUXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-10-12(9-20(3)17-10)13-4-6-15-14(16-13)19(2)8-11-5-7-21-18-11/h4-7,9H,8H2,1-3H3.
What are the key properties of 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine?
4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine has a molecular weight of 284.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 46995160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).