N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine

C18H23FN6 — CID 172881074

IUPACN-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCCN(c3ncnc(C4CCC4)c3F)C2)ncn1
InChIInChI=1S/C18H23FN6/c1-12-8-15(21-10-20-12)24-14-6-3-7-25(9-14)18-16(19)17(22-11-23-18)13-4-2-5-13/h8,10-11,13-14H,2-7,9H2,1H3,(H,20,21,24)
InChIKeyHDGUGIYPFFAHTP-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.06
Rot. Bonds4

About N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine

N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine (PubChem CID 172881074) has the molecular formula C18H23FN6 and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine
PubChem CID172881074
Molecular FormulaC18H23FN6
Molecular Weight342.42 g/mol
Exact Mass342.20
IUPAC NameN-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCCN(c3ncnc(C4CCC4)c3F)C2)ncn1
InChIInChI=1S/C18H23FN6/c1-12-8-15(21-10-20-12)24-14-6-3-7-25(9-14)18-16(19)17(22-11-23-18)13-4-2-5-13/h8,10-11,13-14H,2-7,9H2,1H3,(H,20,21,24)
InChIKeyHDGUGIYPFFAHTP-UHFFFAOYSA-N
XLogP3.06
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 172880905
N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 171994309
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 171994184
N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 172881077
N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 171997600
N-[1-(2,2-dimethylpropyl)piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 171994731
6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 171998278
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 172881008
N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 171997800
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887875
6-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 171998279

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine (CID 172881074) is N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine is Cc1cc(NC2CCCN(c3ncnc(C4CCC4)c3F)C2)ncn1.
What is the InChIKey of N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine?
The InChIKey is HDGUGIYPFFAHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN6/c1-12-8-15(21-10-20-12)24-14-6-3-7-25(9-14)18-16(19)17(22-11-23-18)13-4-2-5-13/h8,10-11,13-14H,2-7,9H2,1H3,(H,20,21,24).
What are the key properties of N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine?
N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine has a molecular weight of 342.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 172881074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).