2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

C14H14ClN5O3 — CID 134480566

IUPAC2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(NCCO)c1cc2c(NCc3ccco3)nc(Cl)nc2[nH]1
InChIInChI=1S/C14H14ClN5O3/c15-14-19-11(17-7-8-2-1-5-23-8)9-6-10(18-12(9)20-14)13(22)16-3-4-21/h1-2,5-6,21H,3-4,7H2,(H,16,22)(H2,17,18,19,20)
InChIKeySCRQNKVAGIPAMF-UHFFFAOYSA-N
MW335.75 g/mol
LogP1.54
Rot. Bonds6

About 2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 134480566) has the molecular formula C14H14ClN5O3 and a molecular weight of 335.75 g/mol. Its IUPAC name is 2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID134480566
Molecular FormulaC14H14ClN5O3
Molecular Weight335.75 g/mol
Exact Mass335.08
IUPAC Name2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESO=C(NCCO)c1cc2c(NCc3ccco3)nc(Cl)nc2[nH]1
InChIInChI=1S/C14H14ClN5O3/c15-14-19-11(17-7-8-2-1-5-23-8)9-6-10(18-12(9)20-14)13(22)16-3-4-21/h1-2,5-6,21H,3-4,7H2,(H,16,22)(H2,17,18,19,20)
InChIKeySCRQNKVAGIPAMF-UHFFFAOYSA-N
XLogP1.54
TPSA116.07 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;3-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]amino]propan-1-ol;[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]methanol;2-chloro-N-(furan-2-ylmethyl)-6-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 159463778
6-(2-amino-3-methylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 175574716
6-(2-amino-3,3-dimethylbutyl)-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175574698
6-[(2R,3S)-2-amino-3-methylpentyl]-2-chloro-N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 164865754
2-chloro-4-(furan-2-ylmethylamino)quinazolin-8-ol
CID 171561832
2-chloro-N-(furan-2-ylmethyl)-6-methoxyquinazolin-4-amine
CID 171562066
2-[[2-chloro-6-(furan-2-ylmethylamino)-7H-purin-8-yl]oxy]ethanol
CID 134480627
2-[2-chloro-4-(furan-2-ylmethylamino)-7-methoxyquinazolin-6-yl]oxyethanol
CID 171562096
N-(furan-2-ylmethyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430211
2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide
CID 134480903
3-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-(2-hydroxyethyl)benzamide
CID 126473545
2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine
CID 134481083

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 134480566) is 2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide is O=C(NCCO)c1cc2c(NCc3ccco3)nc(Cl)nc2[nH]1.
What is the InChIKey of 2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is SCRQNKVAGIPAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O3/c15-14-19-11(17-7-8-2-1-5-23-8)9-6-10(18-12(9)20-14)13(22)16-3-4-21/h1-2,5-6,21H,3-4,7H2,(H,16,22)(H2,17,18,19,20).
What are the key properties of 2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide?
2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 335.75 g/mol, XLogP of 1.54, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(furan-2-ylmethylamino)-N-(2-hydroxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 134480566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).