N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine

C14H17FN6 — CID 172880905

IUPACN-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(c3ncnc(C)c3F)C2)ncn1
InChIInChI=1S/C14H17FN6/c1-9-5-12(18-7-16-9)20-11-3-4-21(6-11)14-13(15)10(2)17-8-19-14/h5,7-8,11H,3-4,6H2,1-2H3,(H,16,18,20)
InChIKeyPHBHBJYXQSIKDZ-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.71
Rot. Bonds3

About N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine

N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine (PubChem CID 172880905) has the molecular formula C14H17FN6 and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
PubChem CID172880905
Molecular FormulaC14H17FN6
Molecular Weight288.33 g/mol
Exact Mass288.15
IUPAC NameN-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(NC2CCN(c3ncnc(C)c3F)C2)ncn1
InChIInChI=1S/C14H17FN6/c1-9-5-12(18-7-16-9)20-11-3-4-21(6-11)14-13(15)10(2)17-8-19-14/h5,7-8,11H,3-4,6H2,1-2H3,(H,16,18,20)
InChIKeyPHBHBJYXQSIKDZ-UHFFFAOYSA-N
XLogP1.71
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(6-cyclobutyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 172881074
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
6-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887665
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887875
N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine
CID 172891189
N-[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887890
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-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 133336237
1-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 103990092

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine (CID 172880905) is N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine is Cc1cc(NC2CCN(c3ncnc(C)c3F)C2)ncn1.
What is the InChIKey of N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine?
The InChIKey is PHBHBJYXQSIKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN6/c1-9-5-12(18-7-16-9)20-11-3-4-21(6-11)14-13(15)10(2)17-8-19-14/h5,7-8,11H,3-4,6H2,1-2H3,(H,16,18,20).
What are the key properties of N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine?
N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine has a molecular weight of 288.33 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 172880905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).