2-chloro-6-methylpyrimidin-4-amine;4,4-difluoropiperidine;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine;hydrochloride

C20H30Cl2F4N8 — CID 162073254

IUPAC2-chloro-6-methylpyrimidin-4-amine;4,4-difluoropiperidine;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine;hydrochloride
SMILESCc1cc(N)nc(Cl)n1.Cc1cc(N)nc(N2CCC(F)(F)CC2)n1.Cl.FC1(F)CCNCC1
InChIInChI=1S/C10H14F2N4.C5H6ClN3.C5H9F2N.ClH/c1-7-6-8(13)15-9(14-7)16-4-2-10(11,12)3-5-16;1-3-2-4(7)9-5(6)8-3;6-5(7)1-3-8-4-2-5;/h6H,2-5H2,1H3,(H2,13,14,15);2H,1H3,(H2,7,8,9);8H,1-4H2;1H
InChIKeyQKIHBZBBNMKQKB-UHFFFAOYSA-N
MW529.41 g/mol
LogP4.05
Rot. Bonds1

About 2-chloro-6-methylpyrimidin-4-amine;4,4-difluoropiperidine;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine;hydrochloride

2-chloro-6-methylpyrimidin-4-amine;4,4-difluoropiperidine;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine;hydrochloride (PubChem CID 162073254) has the molecular formula C20H30Cl2F4N8 and a molecular weight of 529.41 g/mol. Its IUPAC name is 2-chloro-6-methylpyrimidin-4-amine;4,4-difluoropiperidine;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-chloro-6-methylpyrimidin-4-amine;4,4-difluoropiperidine;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine;hydrochloride
PubChem CID162073254
Molecular FormulaC20H30Cl2F4N8
Molecular Weight529.41 g/mol
Exact Mass528.19
IUPAC Name2-chloro-6-methylpyrimidin-4-amine;4,4-difluoropiperidine;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine;hydrochloride
SMILESCc1cc(N)nc(Cl)n1.Cc1cc(N)nc(N2CCC(F)(F)CC2)n1.Cl.FC1(F)CCNCC1
InChIInChI=1S/C10H14F2N4.C5H6ClN3.C5H9F2N.ClH/c1-7-6-8(13)15-9(14-7)16-4-2-10(11,12)3-5-16;1-3-2-4(7)9-5(6)8-3;6-5(7)1-3-8-4-2-5;/h6H,2-5H2,1H3,(H2,13,14,15);2H,1H3,(H2,7,8,9);8H,1-4H2;1H
InChIKeyQKIHBZBBNMKQKB-UHFFFAOYSA-N
XLogP4.05
TPSA118.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.41
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4,4-difluoropiperidin-1-yl)-4-isocyano-6-methylpyrimidine
CID 177282932
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 56724718
6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 56724721
2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-4-iodobenzamide;2-(6-azaspiro[2.5]octan-6-yl)-4-iodobenzoic acid;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 157264484
2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidine
CID 122269420
(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 155975803
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-6-methylpyrimidin-4-amine
CID 95969706
4-(5-bromothiophen-2-yl)-6-methyl-2-piperazin-1-ylpyrimidine
CID 116894826
4-methyl-6-[(4-methylphenyl)methyl]-2-piperazin-1-ylpyrimidine
CID 157251381
2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-methoxy-1,3,5-triazine
CID 148646907
4-(4-chloro-2-fluorophenyl)-2-(4,4-difluoropiperidin-1-yl)-6,7-dimethylpteridine
CID 157044679
4-(4-fluorophenyl)-6-methyl-2-piperazin-1-ylpyrimidine
CID 95430396

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylpyrimidin-4-amine;4,4-difluoropiperidine;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-chloro-6-methylpyrimidin-4-amine;4,4-difluoropiperidine;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine;hydrochloride (CID 162073254) is 2-chloro-6-methylpyrimidin-4-amine;4,4-difluoropiperidine;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-chloro-6-methylpyrimidin-4-amine;4,4-difluoropiperidine;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-chloro-6-methylpyrimidin-4-amine;4,4-difluoropiperidine;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine;hydrochloride is Cc1cc(N)nc(Cl)n1.Cc1cc(N)nc(N2CCC(F)(F)CC2)n1.Cl.FC1(F)CCNCC1.
What is the InChIKey of 2-chloro-6-methylpyrimidin-4-amine;4,4-difluoropiperidine;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine;hydrochloride?
The InChIKey is QKIHBZBBNMKQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4.C5H6ClN3.C5H9F2N.ClH/c1-7-6-8(13)15-9(14-7)16-4-2-10(11,12)3-5-16;1-3-2-4(7)9-5(6)8-3;6-5(7)1-3-8-4-2-5;/h6H,2-5H2,1H3,(H2,13,14,15);2H,1H3,(H2,7,8,9);8H,1-4H2;1H.
What are the key properties of 2-chloro-6-methylpyrimidin-4-amine;4,4-difluoropiperidine;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine;hydrochloride?
2-chloro-6-methylpyrimidin-4-amine;4,4-difluoropiperidine;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine;hydrochloride has a molecular weight of 529.41 g/mol, XLogP of 4.05, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylpyrimidin-4-amine;4,4-difluoropiperidine;2-(4,4-difluoropiperidin-1-yl)-6-methylpyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 162073254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).