N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-6-ethyl-4-methylquinazolin-2-amine

C20H21N7 — CID 66503013

IUPACN-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-6-ethyl-4-methylquinazolin-2-amine
SMILESCCc1ccc2nc(Nc3nccc(-c4cn(C)nc4C)n3)nc(C)c2c1
InChIInChI=1S/C20H21N7/c1-5-14-6-7-17-15(10-14)12(2)22-20(24-17)25-19-21-9-8-18(23-19)16-11-27(4)26-13(16)3/h6-11H,5H2,1-4H3,(H,21,22,23,24,25)
InChIKeyRLDRUDOHJIDWSK-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.74
Rot. Bonds4

About N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-6-ethyl-4-methylquinazolin-2-amine

N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-6-ethyl-4-methylquinazolin-2-amine (PubChem CID 66503013) has the molecular formula C20H21N7 and a molecular weight of 359.44 g/mol. Its IUPAC name is N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-6-ethyl-4-methylquinazolin-2-amine.

Molecular Properties

Compound NameN-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-6-ethyl-4-methylquinazolin-2-amine
PubChem CID66503013
Molecular FormulaC20H21N7
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC NameN-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-6-ethyl-4-methylquinazolin-2-amine
SMILESCCc1ccc2nc(Nc3nccc(-c4cn(C)nc4C)n3)nc(C)c2c1
InChIInChI=1S/C20H21N7/c1-5-14-6-7-17-15(10-14)12(2)22-20(24-17)25-19-21-9-8-18(23-19)16-11-27(4)26-13(16)3/h6-11H,5H2,1-4H3,(H,21,22,23,24,25)
InChIKeyRLDRUDOHJIDWSK-UHFFFAOYSA-N
XLogP3.74
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethyl-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine
CID 66502816
N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-methylquinazolin-2-amine
CID 66503004
6-ethoxy-4-methyl-N-[4-(3-methyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]quinazolin-2-amine
CID 66502817
N-(3,4-dichlorophenyl)-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine
CID 66503169
1-[2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone
CID 941014
N-[(2,5-dichlorophenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46987942
N-[4-(7-ethyl-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-yl]-4,6,7-trimethylquinazolin-2-amine
CID 66499154
4-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)pyrimidin-2-amine
CID 46988994
4,6-dimethyl-N-[4-(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)pyrimidin-2-yl]quinazolin-2-amine
CID 66499165
4-(1,3-dimethylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 154924610
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135455921
8-ethoxy-N-[4-[1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]pyrimidin-2-yl]-4-methylquinazolin-2-amine
CID 66502797

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-6-ethyl-4-methylquinazolin-2-amine?
The IUPAC name of N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-6-ethyl-4-methylquinazolin-2-amine (CID 66503013) is N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-6-ethyl-4-methylquinazolin-2-amine.
What is the SMILES notation for N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-6-ethyl-4-methylquinazolin-2-amine?
The canonical SMILES for N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-6-ethyl-4-methylquinazolin-2-amine is CCc1ccc2nc(Nc3nccc(-c4cn(C)nc4C)n3)nc(C)c2c1.
What is the InChIKey of N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-6-ethyl-4-methylquinazolin-2-amine?
The InChIKey is RLDRUDOHJIDWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7/c1-5-14-6-7-17-15(10-14)12(2)22-20(24-17)25-19-21-9-8-18(23-19)16-11-27(4)26-13(16)3/h6-11H,5H2,1-4H3,(H,21,22,23,24,25).
What are the key properties of N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-6-ethyl-4-methylquinazolin-2-amine?
N-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-6-ethyl-4-methylquinazolin-2-amine has a molecular weight of 359.44 g/mol, XLogP of 3.74, 4 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]-6-ethyl-4-methylquinazolin-2-amine is sourced from PubChem (CID 66503013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).