4-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine

C16H18F2N4 — CID 127244815

IUPAC4-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
SMILESNc1nccc(C2CCCCN2Cc2ccc(F)c(F)c2)n1
InChIInChI=1S/C16H18F2N4/c17-12-5-4-11(9-13(12)18)10-22-8-2-1-3-15(22)14-6-7-20-16(19)21-14/h4-7,9,15H,1-3,8,10H2,(H2,19,20,21)
InChIKeyLGRQDDCHIXNJNK-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.06
Rot. Bonds3

About 4-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine

4-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine (PubChem CID 127244815) has the molecular formula C16H18F2N4 and a molecular weight of 304.34 g/mol. Its IUPAC name is 4-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
PubChem CID127244815
Molecular FormulaC16H18F2N4
Molecular Weight304.34 g/mol
Exact Mass304.15
IUPAC Name4-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
SMILESNc1nccc(C2CCCCN2Cc2ccc(F)c(F)c2)n1
InChIInChI=1S/C16H18F2N4/c17-12-5-4-11(9-13(12)18)10-22-8-2-1-3-15(22)14-6-7-20-16(19)21-14/h4-7,9,15H,1-3,8,10H2,(H2,19,20,21)
InChIKeyLGRQDDCHIXNJNK-UHFFFAOYSA-N
XLogP3.06
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Azd-3839
CID 46202416
SB-220025
CID 5164
Msx-122
CID 11687907
4-Phenylpyrimidine
CID 18923
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
PF-670462
CID 51049607
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
Amprolium ion
CID 2178
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
Ngd 94-1
CID 188942
VK-19911
CID 9797240

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine (CID 127244815) is 4-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine is Nc1nccc(C2CCCCN2Cc2ccc(F)c(F)c2)n1.
What is the InChIKey of 4-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The InChIKey is LGRQDDCHIXNJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4/c17-12-5-4-11(9-13(12)18)10-22-8-2-1-3-15(22)14-6-7-20-16(19)21-14/h4-7,9,15H,1-3,8,10H2,(H2,19,20,21).
What are the key properties of 4-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine?
4-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine has a molecular weight of 304.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 127244815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).