2-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

C17H22F2N6 — CID 171996730

IUPAC2-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(NC2CCCN(Cc3c(F)cncc3F)C2)n1
InChIInChI=1S/C17H22F2N6/c1-24(2)16-5-6-21-17(23-16)22-12-4-3-7-25(10-12)11-13-14(18)8-20-9-15(13)19/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,21,22,23)
InChIKeyYFKSLVKAKXZKAL-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.29
Rot. Bonds5

About 2-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

2-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 171996730) has the molecular formula C17H22F2N6 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID171996730
Molecular FormulaC17H22F2N6
Molecular Weight348.40 g/mol
Exact Mass348.19
IUPAC Name2-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(NC2CCCN(Cc3c(F)cncc3F)C2)n1
InChIInChI=1S/C17H22F2N6/c1-24(2)16-5-6-21-17(23-16)22-12-4-3-7-25(10-12)11-13-14(18)8-20-9-15(13)19/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,21,22,23)
InChIKeyYFKSLVKAKXZKAL-UHFFFAOYSA-N
XLogP2.29
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 171995992
4-N,4-N-dimethyl-2-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 172881622
2-N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171997332
4-N,4-N-dimethyl-2-N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 172893174
4-N,4-N-dimethyl-2-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 171998580
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 171994115
2-[3-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 171993952
2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171995725
4-N,4-N-dimethyl-2-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 172881783
4-N,4-N-dimethyl-2-N-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 171996700
2-N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171999798
N-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 172881633

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (CID 171996730) is 2-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is CN(C)c1ccnc(NC2CCCN(Cc3c(F)cncc3F)C2)n1.
What is the InChIKey of 2-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is YFKSLVKAKXZKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N6/c1-24(2)16-5-6-21-17(23-16)22-12-4-3-7-25(10-12)11-13-14(18)8-20-9-15(13)19/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,21,22,23).
What are the key properties of 2-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
2-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 348.40 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 171996730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).