N-ethyl-6-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylpyrimidin-4-amine

C14H15N7 — CID 106715921

IUPACN-ethyl-6-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylpyrimidin-4-amine
SMILESCCNc1cc(-c2cnn(C)c2)nc(-c2ccncn2)n1
InChIInChI=1S/C14H15N7/c1-3-16-13-6-12(10-7-18-21(2)8-10)19-14(20-13)11-4-5-15-9-17-11/h4-9H,3H2,1-2H3,(H,16,19,20)
InChIKeyYCMGKZQCROGNAV-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.77
Rot. Bonds4

About N-ethyl-6-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylpyrimidin-4-amine

N-ethyl-6-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylpyrimidin-4-amine (PubChem CID 106715921) has the molecular formula C14H15N7 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-ethyl-6-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylpyrimidin-4-amine
PubChem CID106715921
Molecular FormulaC14H15N7
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC NameN-ethyl-6-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylpyrimidin-4-amine
SMILESCCNc1cc(-c2cnn(C)c2)nc(-c2ccncn2)n1
InChIInChI=1S/C14H15N7/c1-3-16-13-6-12(10-7-18-21(2)8-10)19-14(20-13)11-4-5-15-9-17-11/h4-9H,3H2,1-2H3,(H,16,19,20)
InChIKeyYCMGKZQCROGNAV-UHFFFAOYSA-N
XLogP1.77
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-6-phenyl-2-pyrimidin-4-ylpyrimidin-4-amine
CID 63984866
N-ethyl-2-(3-methylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715906
2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 107125410
4-(1-methylpyrazol-4-yl)pyrimidine
CID 3477787
N-ethyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine
CID 80945798
[6-(1-methylpyrazol-4-yl)-2-pyridin-4-ylpyrimidin-4-yl]hydrazine
CID 106716187
[6-(1-methylpyrazol-4-yl)-2-pyrazin-2-ylpyrimidin-4-yl]hydrazine
CID 106716096
[6-(1-methylpyrazol-4-yl)-2-(5-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine
CID 106716230
[2-(1-methylpyrazol-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716205
2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine
CID 80953067
N-methyl-6-(1-methylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
CID 106716000
[2-(3-ethylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716226

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylpyrimidin-4-amine (CID 106715921) is N-ethyl-6-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylpyrimidin-4-amine is CCNc1cc(-c2cnn(C)c2)nc(-c2ccncn2)n1.
What is the InChIKey of N-ethyl-6-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylpyrimidin-4-amine?
The InChIKey is YCMGKZQCROGNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7/c1-3-16-13-6-12(10-7-18-21(2)8-10)19-14(20-13)11-4-5-15-9-17-11/h4-9H,3H2,1-2H3,(H,16,19,20).
What are the key properties of N-ethyl-6-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylpyrimidin-4-amine?
N-ethyl-6-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylpyrimidin-4-amine has a molecular weight of 281.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 106715921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).