cyclohexanamine;2,7-dichloro-5-(difluoromethyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

C18H21Cl2F2N5O — CID 170644081

IUPACcyclohexanamine;2,7-dichloro-5-(difluoromethyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
SMILESFC(F)n1cc(Cl)c2nc(Cl)nc(NCc3ccco3)c21.NC1CCCCC1
InChIInChI=1S/C12H8Cl2F2N4O.C6H13N/c13-7-5-20(12(15)16)9-8(7)18-11(14)19-10(9)17-4-6-2-1-3-21-6;7-6-4-2-1-3-5-6/h1-3,5,12H,4H2,(H,17,18,19);6H,1-5,7H2
InChIKeyZMRFRTAHDSJNKY-UHFFFAOYSA-N
MW432.30 g/mol
LogP5.62
Rot. Bonds4

About cyclohexanamine;2,7-dichloro-5-(difluoromethyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

cyclohexanamine;2,7-dichloro-5-(difluoromethyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 170644081) has the molecular formula C18H21Cl2F2N5O and a molecular weight of 432.30 g/mol. Its IUPAC name is cyclohexanamine;2,7-dichloro-5-(difluoromethyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Namecyclohexanamine;2,7-dichloro-5-(difluoromethyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID170644081
Molecular FormulaC18H21Cl2F2N5O
Molecular Weight432.30 g/mol
Exact Mass431.11
IUPAC Namecyclohexanamine;2,7-dichloro-5-(difluoromethyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
SMILESFC(F)n1cc(Cl)c2nc(Cl)nc(NCc3ccco3)c21.NC1CCCCC1
InChIInChI=1S/C12H8Cl2F2N4O.C6H13N/c13-7-5-20(12(15)16)9-8(7)18-11(14)19-10(9)17-4-6-2-1-3-21-6;7-6-4-2-1-3-5-6/h1-3,5,12H,4H2,(H,17,18,19);6H,1-5,7H2
InChIKeyZMRFRTAHDSJNKY-UHFFFAOYSA-N
XLogP5.62
TPSA81.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.30
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-[(cyclohexylamino)-fluoromethyl]-N-(furan-2-ylmethyl)-7-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 170644513
2,7-dichloro-5-N-fluoro-4-N-(furan-2-ylmethyl)-5-N-(oxan-3-yl)pyrrolo[3,2-d]pyrimidine-4,5-diamine
CID 170644128
2,7-dichloro-5-N-fluoro-4-N-(furan-2-ylmethyl)-5-N-(oxan-3-yl)pyrrolo[3,2-d]pyrimidine-4,5-diamine;ethane
CID 170644127
N-benzyl-2-chloro-5-(difluoromethyl)-7-methylpyrrolo[3,2-d]pyrimidin-4-amine;cyclohex-3-en-1-amine;ethane
CID 170644877
cyclohexanamine;3,5-dichloro-N-(furan-2-ylmethyl)thieno[3,2-b]pyridin-7-amine;ethane
CID 170644231
6-[(2R,3R)-3-aminooxan-2-yl]-2-chloro-N-(furan-2-ylmethyl)-7-iodothieno[3,2-d]pyrimidin-4-amine
CID 170644551
6-[(2R)-2-amino-3,3-difluoropropyl]-2,7-dichloro-N-(furan-2-ylmethyl)furo[3,2-d]pyrimidin-4-amine
CID 177282069
2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
CID 171561832
6-bromo-2-chloro-N-(furan-2-ylmethyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 178114373
2-chloro-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-4,5-diamine
CID 7147199
6-[(1S,6S)-6-aminocyclohex-3-en-1-yl]-2-chloro-N-(furan-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 170644582
6-[(1R,6R)-6-aminocyclohex-3-en-1-yl]-2-chloro-N-(furan-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 170644955

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;2,7-dichloro-5-(difluoromethyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of cyclohexanamine;2,7-dichloro-5-(difluoromethyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (CID 170644081) is cyclohexanamine;2,7-dichloro-5-(difluoromethyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for cyclohexanamine;2,7-dichloro-5-(difluoromethyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for cyclohexanamine;2,7-dichloro-5-(difluoromethyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is FC(F)n1cc(Cl)c2nc(Cl)nc(NCc3ccco3)c21.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;2,7-dichloro-5-(difluoromethyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is ZMRFRTAHDSJNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F2N4O.C6H13N/c13-7-5-20(12(15)16)9-8(7)18-11(14)19-10(9)17-4-6-2-1-3-21-6;7-6-4-2-1-3-5-6/h1-3,5,12H,4H2,(H,17,18,19);6H,1-5,7H2.
What are the key properties of cyclohexanamine;2,7-dichloro-5-(difluoromethyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
cyclohexanamine;2,7-dichloro-5-(difluoromethyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 432.30 g/mol, XLogP of 5.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;2,7-dichloro-5-(difluoromethyl)-N-(furan-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 170644081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).