4-(1,3-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-2-amine

C15H17N5O — CID 46995377

IUPAC4-(1,3-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-2-amine
SMILESCc1nn(C)cc1-c1ccnc(N(C)Cc2ccoc2)n1
InChIInChI=1S/C15H17N5O/c1-11-13(9-20(3)18-11)14-4-6-16-15(17-14)19(2)8-12-5-7-21-10-12/h4-7,9-10H,8H2,1-3H3
InChIKeyQIOACHXSWYDBSP-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.41
Rot. Bonds4

About 4-(1,3-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-2-amine

4-(1,3-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-2-amine (PubChem CID 46995377) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-2-amine
PubChem CID46995377
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name4-(1,3-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-2-amine
SMILESCc1nn(C)cc1-c1ccnc(N(C)Cc2ccoc2)n1
InChIInChI=1S/C15H17N5O/c1-11-13(9-20(3)18-11)14-4-6-16-15(17-14)19(2)8-12-5-7-21-10-12/h4-7,9-10H,8H2,1-3H3
InChIKeyQIOACHXSWYDBSP-UHFFFAOYSA-N
XLogP2.41
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-2-amine (CID 46995377) is 4-(1,3-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(1,3-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-2-amine is Cc1nn(C)cc1-c1ccnc(N(C)Cc2ccoc2)n1.
What is the InChIKey of 4-(1,3-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-2-amine?
The InChIKey is QIOACHXSWYDBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-11-13(9-20(3)18-11)14-4-6-16-15(17-14)19(2)8-12-5-7-21-10-12/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 4-(1,3-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-2-amine?
4-(1,3-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-2-amine has a molecular weight of 283.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazol-4-yl)-N-(furan-3-ylmethyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 46995377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).