6-chloro-4-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine

C17H21ClFN5O — CID 55829581

IUPAC6-chloro-4-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CN2CCC(Nc3cc(Cl)nc(N)n3)CC2)cc1F
InChIInChI=1S/C17H21ClFN5O/c1-25-14-3-2-11(8-13(14)19)10-24-6-4-12(5-7-24)21-16-9-15(18)22-17(20)23-16/h2-3,8-9,12H,4-7,10H2,1H3,(H3,20,21,22,23)
InChIKeyXFKYBUZYKUWLKW-UHFFFAOYSA-N
MW365.84 g/mol
LogP2.94
Rot. Bonds5

About 6-chloro-4-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine

6-chloro-4-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine (PubChem CID 55829581) has the molecular formula C17H21ClFN5O and a molecular weight of 365.84 g/mol. Its IUPAC name is 6-chloro-4-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
PubChem CID55829581
Molecular FormulaC17H21ClFN5O
Molecular Weight365.84 g/mol
Exact Mass365.14
IUPAC Name6-chloro-4-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CN2CCC(Nc3cc(Cl)nc(N)n3)CC2)cc1F
InChIInChI=1S/C17H21ClFN5O/c1-25-14-3-2-11(8-13(14)19)10-24-6-4-12(5-7-24)21-16-9-15(18)22-17(20)23-16/h2-3,8-9,12H,4-7,10H2,1H3,(H3,20,21,22,23)
InChIKeyXFKYBUZYKUWLKW-UHFFFAOYSA-N
XLogP2.94
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-4-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 47054672
2-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxyethanamine
CID 82692295
4-(2-chlorophenyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide
CID 60543998
4-N-(1-benzylpiperidin-4-yl)-6-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,6-triamine
CID 117087606
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carbonitrile
CID 48940722
3-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 63388157
4-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]amino]quinoline-2-carbonitrile
CID 133319319
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56563974
cyclopropyl-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399346
5-chloro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55959163
[2-chloro-6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]-4-pyridinyl]methanol
CID 24855125
1-[(3-fluoro-4-methoxyphenyl)methyl]-N-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
CID 55829837

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine (CID 55829581) is 6-chloro-4-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine is COc1ccc(CN2CCC(Nc3cc(Cl)nc(N)n3)CC2)cc1F.
What is the InChIKey of 6-chloro-4-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine?
The InChIKey is XFKYBUZYKUWLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFN5O/c1-25-14-3-2-11(8-13(14)19)10-24-6-4-12(5-7-24)21-16-9-15(18)22-17(20)23-16/h2-3,8-9,12H,4-7,10H2,1H3,(H3,20,21,22,23).
What are the key properties of 6-chloro-4-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine?
6-chloro-4-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine has a molecular weight of 365.84 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 55829581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).