5-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]furan-2-carboxamide

C18H24ClN5O2 — CID 23027786

IUPAC5-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]furan-2-carboxamide
SMILESCc1cc(N(C)C)nc(NC2CCC(NC(=O)c3ccc(Cl)o3)CC2)n1
InChIInChI=1S/C18H24ClN5O2/c1-11-10-16(24(2)3)23-18(20-11)22-13-6-4-12(5-7-13)21-17(25)14-8-9-15(19)26-14/h8-10,12-13H,4-7H2,1-3H3,(H,21,25)(H,20,22,23)
InChIKeyOHKOHNFOYSEJTE-UHFFFAOYSA-N
MW377.88 g/mol
LogP3.25
Rot. Bonds5

About 5-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]furan-2-carboxamide

5-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]furan-2-carboxamide (PubChem CID 23027786) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is 5-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]furan-2-carboxamide
PubChem CID23027786
Molecular FormulaC18H24ClN5O2
Molecular Weight377.88 g/mol
Exact Mass377.16
IUPAC Name5-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]furan-2-carboxamide
SMILESCc1cc(N(C)C)nc(NC2CCC(NC(=O)c3ccc(Cl)o3)CC2)n1
InChIInChI=1S/C18H24ClN5O2/c1-11-10-16(24(2)3)23-18(20-11)22-13-6-4-12(5-7-13)21-17(25)14-8-9-15(19)26-14/h8-10,12-13H,4-7H2,1-3H3,(H,21,25)(H,20,22,23)
InChIKeyOHKOHNFOYSEJTE-UHFFFAOYSA-N
XLogP3.25
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide;hydrochloride
CID 174489620
4-butyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]benzamide
CID 23026713
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-3-methylbenzamide
CID 45485077
1-(2,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]cyclopropane-1-carboxamide
CID 23027648
1-[1-(4-chlorophenyl)cyclopropyl]-3-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]urea
CID 23027060
4-bromo-N-[4-[[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]methyl]cyclohexyl]benzamide
CID 23027326
1-(3,4-difluorophenyl)-3-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]-1-methylurea
CID 91038115
N-[(4-bromo-2-fluorophenyl)methyl]-4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexane-1-carboxamide
CID 23027100
3,4-dichloro-N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]benzamide
CID 23026777
N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-5-iodofuran-2-carboxamide
CID 70995699
2-[1-(2-bromophenyl)prop-2-enylsulfonyl]-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]pyridine-3-carboxamide
CID 175246738

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]furan-2-carboxamide (CID 23027786) is 5-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]furan-2-carboxamide is Cc1cc(N(C)C)nc(NC2CCC(NC(=O)c3ccc(Cl)o3)CC2)n1.
What is the InChIKey of 5-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]furan-2-carboxamide?
The InChIKey is OHKOHNFOYSEJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O2/c1-11-10-16(24(2)3)23-18(20-11)22-13-6-4-12(5-7-13)21-17(25)14-8-9-15(19)26-14/h8-10,12-13H,4-7H2,1-3H3,(H,21,25)(H,20,22,23).
What are the key properties of 5-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]furan-2-carboxamide?
5-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]furan-2-carboxamide has a molecular weight of 377.88 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]furan-2-carboxamide is sourced from PubChem (CID 23027786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).