5-methyl-4-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine

C14H17N7 — CID 30957211

IUPAC5-methyl-4-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCc1cnc(NCc2cnn(C)c2)nc1-c1cnn(C)c1
InChIInChI=1S/C14H17N7/c1-10-4-15-14(16-5-11-6-17-20(2)8-11)19-13(10)12-7-18-21(3)9-12/h4,6-9H,5H2,1-3H3,(H,15,16,19)
InChIKeyKFBQOUIAAJJKLN-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.53
Rot. Bonds4

About 5-methyl-4-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine

5-methyl-4-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine (PubChem CID 30957211) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 5-methyl-4-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
PubChem CID30957211
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name5-methyl-4-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCc1cnc(NCc2cnn(C)c2)nc1-c1cnn(C)c1
InChIInChI=1S/C14H17N7/c1-10-4-15-14(16-5-11-6-17-20(2)8-11)19-13(10)12-7-18-21(3)9-12/h4,6-9H,5H2,1-3H3,(H,15,16,19)
InChIKeyKFBQOUIAAJJKLN-UHFFFAOYSA-N
XLogP1.53
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-4-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine (CID 30957211) is 5-methyl-4-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine is Cc1cnc(NCc2cnn(C)c2)nc1-c1cnn(C)c1.
What is the InChIKey of 5-methyl-4-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is KFBQOUIAAJJKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-10-4-15-14(16-5-11-6-17-20(2)8-11)19-13(10)12-7-18-21(3)9-12/h4,6-9H,5H2,1-3H3,(H,15,16,19).
What are the key properties of 5-methyl-4-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine?
5-methyl-4-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine has a molecular weight of 283.34 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 30957211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).