N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-fluoro-N-methylpyrimidin-2-amine

C14H16ClFN6 — CID 171691306

IUPACN-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-fluoro-N-methylpyrimidin-2-amine
SMILESCN(c1ncc(F)cn1)C1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C14H16ClFN6/c1-21(13-19-8-11(16)9-20-13)12-2-4-22(5-3-12)14-17-6-10(15)7-18-14/h6-9,12H,2-5H2,1H3
InChIKeyNJLUJLCYQFYTQD-UHFFFAOYSA-N
MW322.78 g/mol
LogP2.16
Rot. Bonds3

About N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-fluoro-N-methylpyrimidin-2-amine

N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 171691306) has the molecular formula C14H16ClFN6 and a molecular weight of 322.78 g/mol. Its IUPAC name is N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID171691306
Molecular FormulaC14H16ClFN6
Molecular Weight322.78 g/mol
Exact Mass322.11
IUPAC NameN-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-fluoro-N-methylpyrimidin-2-amine
SMILESCN(c1ncc(F)cn1)C1CCN(c2ncc(Cl)cn2)CC1
InChIInChI=1S/C14H16ClFN6/c1-21(13-19-8-11(16)9-20-13)12-2-4-22(5-3-12)14-17-6-10(15)7-18-14/h6-9,12H,2-5H2,1H3
InChIKeyNJLUJLCYQFYTQD-UHFFFAOYSA-N
XLogP2.16
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.78
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 163345660
5-chloro-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-2-amine
CID 155942328
5-chloro-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 163344044
5-chloro-N-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidin-2-amine
CID 163345440
5-chloro-N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-2-amine
CID 155942310
5-chloro-N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine
CID 163345578
5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 155981420
5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine
CID 126993949
5-chloro-2-[4-(3-methylbutan-2-yl)piperidin-1-yl]pyrimidine
CID 155179640
1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol
CID 103826127
5-chloro-N-(1,1-dioxothian-4-yl)-N-methylpyrimidin-2-amine
CID 75377306
2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine
CID 106838724

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-fluoro-N-methylpyrimidin-2-amine (CID 171691306) is N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-fluoro-N-methylpyrimidin-2-amine is CN(c1ncc(F)cn1)C1CCN(c2ncc(Cl)cn2)CC1.
What is the InChIKey of N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is NJLUJLCYQFYTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN6/c1-21(13-19-8-11(16)9-20-13)12-2-4-22(5-3-12)14-17-6-10(15)7-18-14/h6-9,12H,2-5H2,1H3.
What are the key properties of N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-fluoro-N-methylpyrimidin-2-amine?
N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 322.78 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 171691306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).