N-[(1-benzylpyrazol-4-yl)methyl]-4-methoxy-N-methylpyrimidin-2-amine

C17H19N5O — CID 26449466

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-4-methoxy-N-methylpyrimidin-2-amine
SMILESCOc1ccnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1
InChIInChI=1S/C17H19N5O/c1-21(17-18-9-8-16(20-17)23-2)11-15-10-19-22(13-15)12-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3
InChIKeyCUKIVERRAWCPEL-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.37
Rot. Bonds6

About N-[(1-benzylpyrazol-4-yl)methyl]-4-methoxy-N-methylpyrimidin-2-amine

N-[(1-benzylpyrazol-4-yl)methyl]-4-methoxy-N-methylpyrimidin-2-amine (PubChem CID 26449466) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-4-methoxy-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-4-methoxy-N-methylpyrimidin-2-amine
PubChem CID26449466
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-4-methoxy-N-methylpyrimidin-2-amine
SMILESCOc1ccnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1
InChIInChI=1S/C17H19N5O/c1-21(17-18-9-8-16(20-17)23-2)11-15-10-19-22(13-15)12-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3
InChIKeyCUKIVERRAWCPEL-UHFFFAOYSA-N
XLogP2.37
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-4-methoxy-N-methylpyrimidin-2-amine?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-4-methoxy-N-methylpyrimidin-2-amine (CID 26449466) is N-[(1-benzylpyrazol-4-yl)methyl]-4-methoxy-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-4-methoxy-N-methylpyrimidin-2-amine?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-4-methoxy-N-methylpyrimidin-2-amine is COc1ccnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-4-methoxy-N-methylpyrimidin-2-amine?
The InChIKey is CUKIVERRAWCPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-21(17-18-9-8-16(20-17)23-2)11-15-10-19-22(13-15)12-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-4-methoxy-N-methylpyrimidin-2-amine?
N-[(1-benzylpyrazol-4-yl)methyl]-4-methoxy-N-methylpyrimidin-2-amine has a molecular weight of 309.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-4-methoxy-N-methylpyrimidin-2-amine is sourced from PubChem (CID 26449466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).