N-(furan-2-ylmethyl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine

C16H19N5O — CID 46994739

IUPACN-(furan-2-ylmethyl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1nn(C)c(C)c1-c1ccnc(N(C)Cc2ccco2)n1
InChIInChI=1S/C16H19N5O/c1-11-15(12(2)21(4)19-11)14-7-8-17-16(18-14)20(3)10-13-6-5-9-22-13/h5-9H,10H2,1-4H3
InChIKeyYPGOTMXOVWQHTI-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.72
Rot. Bonds4

About N-(furan-2-ylmethyl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine

N-(furan-2-ylmethyl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 46994739) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID46994739
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1nn(C)c(C)c1-c1ccnc(N(C)Cc2ccco2)n1
InChIInChI=1S/C16H19N5O/c1-11-15(12(2)21(4)19-11)14-7-8-17-16(18-14)20(3)10-13-6-5-9-22-13/h5-9H,10H2,1-4H3
InChIKeyYPGOTMXOVWQHTI-UHFFFAOYSA-N
XLogP2.72
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine (CID 46994739) is N-(furan-2-ylmethyl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine is Cc1nn(C)c(C)c1-c1ccnc(N(C)Cc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is YPGOTMXOVWQHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-11-15(12(2)21(4)19-11)14-7-8-17-16(18-14)20(3)10-13-6-5-9-22-13/h5-9H,10H2,1-4H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine?
N-(furan-2-ylmethyl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 297.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 46994739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).