N-ethyl-5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine

C16H17N5 — CID 80840306

IUPACN-ethyl-5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine
SMILESCCNc1ncnc(-n2cc(-c3ccccc3)cn2)c1C
InChIInChI=1S/C16H17N5/c1-3-17-15-12(2)16(19-11-18-15)21-10-14(9-20-21)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,17,18,19)
InChIKeyUTWCEEDNZLMYEE-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.07
Rot. Bonds4

About N-ethyl-5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine

N-ethyl-5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 80840306) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-ethyl-5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID80840306
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-ethyl-5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine
SMILESCCNc1ncnc(-n2cc(-c3ccccc3)cn2)c1C
InChIInChI=1S/C16H17N5/c1-3-17-15-12(2)16(19-11-18-15)21-10-14(9-20-21)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,17,18,19)
InChIKeyUTWCEEDNZLMYEE-UHFFFAOYSA-N
XLogP3.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine (CID 80840306) is N-ethyl-5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine is CCNc1ncnc(-n2cc(-c3ccccc3)cn2)c1C.
What is the InChIKey of N-ethyl-5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is UTWCEEDNZLMYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-3-17-15-12(2)16(19-11-18-15)21-10-14(9-20-21)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine?
N-ethyl-5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 279.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80840306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).