5-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]ethyl]-6-methylpyrimidine-2,4-diamine

C19H26Cl2N6 — CID 22396225

IUPAC5-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1CCNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H26Cl2N6/c1-12-15(18(22)26-19(23)25-12)4-7-24-14-5-8-27(9-6-14)11-13-2-3-16(20)17(21)10-13/h2-3,10,14,24H,4-9,11H2,1H3,(H4,22,23,25,26)
InChIKeyOIHQDVCWFRJIQQ-UHFFFAOYSA-N
MW409.37 g/mol
LogP3.05
Rot. Bonds6

About 5-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]ethyl]-6-methylpyrimidine-2,4-diamine

5-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]ethyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 22396225) has the molecular formula C19H26Cl2N6 and a molecular weight of 409.37 g/mol. Its IUPAC name is 5-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]ethyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]ethyl]-6-methylpyrimidine-2,4-diamine
PubChem CID22396225
Molecular FormulaC19H26Cl2N6
Molecular Weight409.37 g/mol
Exact Mass408.16
IUPAC Name5-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1CCNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H26Cl2N6/c1-12-15(18(22)26-19(23)25-12)4-7-24-14-5-8-27(9-6-14)11-13-2-3-16(20)17(21)10-13/h2-3,10,14,24H,4-9,11H2,1H3,(H4,22,23,25,26)
InChIKeyOIHQDVCWFRJIQQ-UHFFFAOYSA-N
XLogP3.05
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]ethyl]-6-methylpyrimidine-2,4-diamine with MolForge

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Related Compounds

4-[[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]methyl]benzoic acid
CID 122031321
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
(2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119883495
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-N'-[2-(methylsulfanylmethyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 20794187
3-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]benzamide
CID 119883504
1-[(3,4-dichlorophenyl)methyl]-N-[(1-methylindol-2-yl)methyl]piperidin-4-amine
CID 10135726
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide
CID 86993237
N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine
CID 106818906
1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 62538948
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide
CID 10200703
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
1-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
CID 119883492

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]ethyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]ethyl]-6-methylpyrimidine-2,4-diamine (CID 22396225) is 5-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]ethyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]ethyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]ethyl]-6-methylpyrimidine-2,4-diamine is Cc1nc(N)nc(N)c1CCNC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 5-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]ethyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is OIHQDVCWFRJIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2N6/c1-12-15(18(22)26-19(23)25-12)4-7-24-14-5-8-27(9-6-14)11-13-2-3-16(20)17(21)10-13/h2-3,10,14,24H,4-9,11H2,1H3,(H4,22,23,25,26).
What are the key properties of 5-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]ethyl]-6-methylpyrimidine-2,4-diamine?
5-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]ethyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 409.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]ethyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 22396225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).