N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-methylquinazolin-2-amine

C18H17N7 — CID 66503004

IUPACN-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-methylquinazolin-2-amine
SMILESCc1nn(C)cc1-c1ccnc(Nc2nc(C)c3ccccc3n2)n1
InChIInChI=1S/C18H17N7/c1-11-13-6-4-5-7-15(13)22-18(20-11)23-17-19-9-8-16(21-17)14-10-25(3)24-12(14)2/h4-10H,1-3H3,(H,19,20,21,22,23)
InChIKeyJOGPDDCVGSYRJB-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.18
Rot. Bonds3

About N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-methylquinazolin-2-amine

N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-methylquinazolin-2-amine (PubChem CID 66503004) has the molecular formula C18H17N7 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-methylquinazolin-2-amine.

Molecular Properties

Compound NameN-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-methylquinazolin-2-amine
PubChem CID66503004
Molecular FormulaC18H17N7
Molecular Weight331.38 g/mol
Exact Mass331.15
IUPAC NameN-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-methylquinazolin-2-amine
SMILESCc1nn(C)cc1-c1ccnc(Nc2nc(C)c3ccccc3n2)n1
InChIInChI=1S/C18H17N7/c1-11-13-6-4-5-7-15(13)22-18(20-11)23-17-19-9-8-16(21-17)14-10-25(3)24-12(14)2/h4-10H,1-3H3,(H,19,20,21,22,23)
InChIKeyJOGPDDCVGSYRJB-UHFFFAOYSA-N
XLogP3.18
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-methylquinazolin-2-amine?
The IUPAC name of N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-methylquinazolin-2-amine (CID 66503004) is N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-methylquinazolin-2-amine.
What is the SMILES notation for N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-methylquinazolin-2-amine?
The canonical SMILES for N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-methylquinazolin-2-amine is Cc1nn(C)cc1-c1ccnc(Nc2nc(C)c3ccccc3n2)n1.
What is the InChIKey of N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-methylquinazolin-2-amine?
The InChIKey is JOGPDDCVGSYRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7/c1-11-13-6-4-5-7-15(13)22-18(20-11)23-17-19-9-8-16(21-17)14-10-25(3)24-12(14)2/h4-10H,1-3H3,(H,19,20,21,22,23).
What are the key properties of N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-methylquinazolin-2-amine?
N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-methylquinazolin-2-amine has a molecular weight of 331.38 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-methylquinazolin-2-amine is sourced from PubChem (CID 66503004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).