N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-methylquinazolin-4-amine

C20H24N6 — CID 127412171

IUPACN-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-methylquinazolin-4-amine
SMILESCCc1cc(N2CCCC(Nc3ncnc4cccc(C)c34)C2)ncn1
InChIInChI=1S/C20H24N6/c1-3-15-10-18(23-12-21-15)26-9-5-7-16(11-26)25-20-19-14(2)6-4-8-17(19)22-13-24-20/h4,6,8,10,12-13,16H,3,5,7,9,11H2,1-2H3,(H,22,24,25)
InChIKeyJXRSXNQSRYZYJB-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.37
Rot. Bonds4

About N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-methylquinazolin-4-amine

N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-methylquinazolin-4-amine (PubChem CID 127412171) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-methylquinazolin-4-amine
PubChem CID127412171
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-methylquinazolin-4-amine
SMILESCCc1cc(N2CCCC(Nc3ncnc4cccc(C)c34)C2)ncn1
InChIInChI=1S/C20H24N6/c1-3-15-10-18(23-12-21-15)26-9-5-7-16(11-26)25-20-19-14(2)6-4-8-17(19)22-13-24-20/h4,6,8,10,12-13,16H,3,5,7,9,11H2,1-2H3,(H,22,24,25)
InChIKeyJXRSXNQSRYZYJB-UHFFFAOYSA-N
XLogP3.37
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]thieno[3,2-d]pyrimidin-4-amine
CID 127311887
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62545846
2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171995725
3-[[[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]amino]methyl]benzoic acid
CID 122031077
N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride
CID 120704514
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 166605798
4-ethyl-6-[(3R)-3-phenylmethoxypiperidin-1-yl]pyrimidine
CID 97200713
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 127805061
2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 62689410
N-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl]-5-methylquinazolin-4-amine
CID 171359867
N-[(3S)-1-pyridazin-3-ylpiperidin-3-yl]quinazolin-4-amine
CID 95599796
N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinazolin-4-amine
CID 95599795

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-methylquinazolin-4-amine?
The IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-methylquinazolin-4-amine (CID 127412171) is N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-methylquinazolin-4-amine.
What is the SMILES notation for N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-methylquinazolin-4-amine?
The canonical SMILES for N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-methylquinazolin-4-amine is CCc1cc(N2CCCC(Nc3ncnc4cccc(C)c34)C2)ncn1.
What is the InChIKey of N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-methylquinazolin-4-amine?
The InChIKey is JXRSXNQSRYZYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-3-15-10-18(23-12-21-15)26-9-5-7-16(11-26)25-20-19-14(2)6-4-8-17(19)22-13-24-20/h4,6,8,10,12-13,16H,3,5,7,9,11H2,1-2H3,(H,22,24,25).
What are the key properties of N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-methylquinazolin-4-amine?
N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-methylquinazolin-4-amine has a molecular weight of 348.45 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-5-methylquinazolin-4-amine is sourced from PubChem (CID 127412171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).