N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine

C12H17F3N4 — CID 164637542

IUPACN-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC[C@H]2CCNCC2(F)F)c1F
InChIInChI=1S/C12H17F3N4/c1-2-9-10(13)11(19-7-18-9)17-5-8-3-4-16-6-12(8,14)15/h7-8,16H,2-6H2,1H3,(H,17,18,19)/t8-/m1/s1
InChIKeyCTLIZVYYNYHCTM-MRVPVSSYSA-N
MW274.29 g/mol
LogP1.83
Rot. Bonds4

About N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine

N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 164637542) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID164637542
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC NameN-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC[C@H]2CCNCC2(F)F)c1F
InChIInChI=1S/C12H17F3N4/c1-2-9-10(13)11(19-7-18-9)17-5-8-3-4-16-6-12(8,14)15/h7-8,16H,2-6H2,1H3,(H,17,18,19)/t8-/m1/s1
InChIKeyCTLIZVYYNYHCTM-MRVPVSSYSA-N
XLogP1.83
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003
4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271012
4-N-butyl-6-methyl-5-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 135271028
4-N-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 117561553
N-Isopropyl-6,7,8,9-Tetrahydro-5H-Pyrimido[4,5-D]Azepin-4-Amine
CID 97516494
N,N-dimethyl-5H,6H,7H,8H-pyrido(4,3-d)pyrimidin-4-amine
CID 50988943
5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-aminehydrochloride
CID 145874370
5-Fluoro-4-(piperidin-4-yl)pyrimidine dihydrochloride
CID 165940961
N-methyl-5,6-di(propan-2-yl)pyrimidin-4-amine
CID 65440079
5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-amine
CID 66603013
6-isopropyl-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine
CID 54967718
N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 131931568

Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine (CID 164637542) is N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NC[C@H]2CCNCC2(F)F)c1F.
What is the InChIKey of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is CTLIZVYYNYHCTM-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-2-9-10(13)11(19-7-18-9)17-5-8-3-4-16-6-12(8,14)15/h7-8,16H,2-6H2,1H3,(H,17,18,19)/t8-/m1/s1.
What are the key properties of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 274.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 164637542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).