6-amino-2-[4-amino-4-(difluoromethyl)piperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide

C17H18Cl2F2N6O — CID 155095705

IUPAC6-amino-2-[4-amino-4-(difluoromethyl)piperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(N2CCC(N)(C(F)F)CC2)nc(N)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C17H18Cl2F2N6O/c18-9-3-1-2-8(11(9)19)10-12(14(23)28)25-16(26-13(10)22)27-6-4-17(24,5-7-27)15(20)21/h1-3,15H,4-7,24H2,(H2,23,28)(H2,22,25,26)
InChIKeyCIWSBKHCKCUWDC-UHFFFAOYSA-N
MW431.27 g/mol
LogP2.69
Rot. Bonds4

About 6-amino-2-[4-amino-4-(difluoromethyl)piperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide

6-amino-2-[4-amino-4-(difluoromethyl)piperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide (PubChem CID 155095705) has the molecular formula C17H18Cl2F2N6O and a molecular weight of 431.27 g/mol. Its IUPAC name is 6-amino-2-[4-amino-4-(difluoromethyl)piperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-amino-2-[4-amino-4-(difluoromethyl)piperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
PubChem CID155095705
Molecular FormulaC17H18Cl2F2N6O
Molecular Weight431.27 g/mol
Exact Mass430.09
IUPAC Name6-amino-2-[4-amino-4-(difluoromethyl)piperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
SMILESNC(=O)c1nc(N2CCC(N)(C(F)F)CC2)nc(N)c1-c1cccc(Cl)c1Cl
InChIInChI=1S/C17H18Cl2F2N6O/c18-9-3-1-2-8(11(9)19)10-12(14(23)28)25-16(26-13(10)22)27-6-4-17(24,5-7-27)15(20)21/h1-3,15H,4-7,24H2,(H2,23,28)(H2,22,25,26)
InChIKeyCIWSBKHCKCUWDC-UHFFFAOYSA-N
XLogP2.69
TPSA124.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.27
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-[4-(Aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-cyclopropyl-2-(trifluoromethyl)-5,6-dihydropyrido[3,4-d]pyrimidin-8-one
CID 70297609
2-(2,3-dichlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 164620630
(2,3-dichlorophenyl)-[4-(4-fluorophenyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 86281817
(2-amino-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,3-dichlorophenyl)methanone
CID 86281818
2-(4-Amino-4-methyl-piperidin-1-yl)-5-(2-chloro-3-trifluoromethyl-phenyl)-6-methyl-pyrimidine-4-carboxylic acid amide
CID 155089478
6-amino-2-[(1R)-1-amino-3,3-difluoro-8-azaspiro[4.5]-decan-8-yl]-5-(2,3-dichloro-phenyl)-pyrimidine-4-carboxamide
CID 155089505
(5M)-2-[(1R)-1-amino-3,3-difluoro-8-azaspiro[4.5]-decan-8-yl]-5-(2,3-dichloro-phenyl)-6-methylpyrimidine-4-carboxamide
CID 155095699
(5M)-2-[(1S)-1-amino-1,3-dihydrospiro[indene-2,4'-piperidin]-1'-yl]-5-(2,3-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 155089443
(5P)-6-amino-2-[(1S)-1-amino-1,3-dihydrospiro[indene-2,4'-piperidin]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 155095692
[4-Chloro-3-(trifluoromethyl)phenyl]-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 155258860
6-Amino-2-(4-amino-4-methyl-piperidin-1-yl)-5-(3-fluoro-phenyl)-pyrimidine-4-carboxylic acid amide
CID 155089397
2-(4-Amino-4-methyl-piperidin-1-yl)-5-(2-chloro-4-fluoro-phenyl)-6-methyl-pyrimidine-4-carboxylic acid amide
CID 155089568

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[4-amino-4-(difluoromethyl)piperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-amino-2-[4-amino-4-(difluoromethyl)piperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide (CID 155095705) is 6-amino-2-[4-amino-4-(difluoromethyl)piperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-amino-2-[4-amino-4-(difluoromethyl)piperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-amino-2-[4-amino-4-(difluoromethyl)piperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide is NC(=O)c1nc(N2CCC(N)(C(F)F)CC2)nc(N)c1-c1cccc(Cl)c1Cl.
What is the InChIKey of 6-amino-2-[4-amino-4-(difluoromethyl)piperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide?
The InChIKey is CIWSBKHCKCUWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2F2N6O/c18-9-3-1-2-8(11(9)19)10-12(14(23)28)25-16(26-13(10)22)27-6-4-17(24,5-7-27)15(20)21/h1-3,15H,4-7,24H2,(H2,23,28)(H2,22,25,26).
What are the key properties of 6-amino-2-[4-amino-4-(difluoromethyl)piperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide?
6-amino-2-[4-amino-4-(difluoromethyl)piperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide has a molecular weight of 431.27 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[4-amino-4-(difluoromethyl)piperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 155095705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).