N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine

C18H19FN6 — CID 126887875

IUPACN-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(c3ncnc4ccc(F)cc34)CC2)ncn1
InChIInChI=1S/C18H19FN6/c1-12-8-17(22-10-20-12)24-14-4-6-25(7-5-14)18-15-9-13(19)2-3-16(15)21-11-23-18/h2-3,8-11,14H,4-7H2,1H3,(H,20,22,24)
InChIKeySDGATNUSEHKAJQ-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.95
Rot. Bonds3

About N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine

N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine (PubChem CID 126887875) has the molecular formula C18H19FN6 and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
PubChem CID126887875
Molecular FormulaC18H19FN6
Molecular Weight338.39 g/mol
Exact Mass338.17
IUPAC NameN-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(c3ncnc4ccc(F)cc34)CC2)ncn1
InChIInChI=1S/C18H19FN6/c1-12-8-17(22-10-20-12)24-14-4-6-25(7-5-14)18-15-9-13(19)2-3-16(15)21-11-23-18/h2-3,8-11,14H,4-7H2,1H3,(H,20,22,24)
InChIKeySDGATNUSEHKAJQ-UHFFFAOYSA-N
XLogP2.95
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887890
6-fluoro-4-[4-(6-methylpyrazin-2-yl)oxypiperidin-1-yl]quinazoline
CID 171702556
N-[1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887891
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 171997600
6-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887665
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722
N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 172880905
1-(6-fluoroquinazolin-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 133305498
6-methoxy-N-(1-quinazolin-4-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888251
6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline
CID 126810422
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N-methylpyridin-2-amine
CID 155976434

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine (CID 126887875) is N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine is Cc1cc(NC2CCN(c3ncnc4ccc(F)cc34)CC2)ncn1.
What is the InChIKey of N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
The InChIKey is SDGATNUSEHKAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6/c1-12-8-17(22-10-20-12)24-14-4-6-25(7-5-14)18-15-9-13(19)2-3-16(15)21-11-23-18/h2-3,8-11,14H,4-7H2,1H3,(H,20,22,24).
What are the key properties of N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine?
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine has a molecular weight of 338.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 126887875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).