2-(furan-2-ylmethyl)-6-[2-(trideuteriomethylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride

C14H18ClN5O — CID 175868336

IUPAC2-(furan-2-ylmethyl)-6-[2-(trideuteriomethylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCl.[2H]C([2H])([2H])NCCc1cc2c(N)nc(Cc3ccco3)nc2[nH]1
InChIInChI=1S/C14H17N5O.ClH/c1-16-5-4-9-7-11-13(15)18-12(19-14(11)17-9)8-10-3-2-6-20-10;/h2-3,6-7,16H,4-5,8H2,1H3,(H3,15,17,18,19);1H/i1D3;
InChIKeyRJHMDIYCUSHTSI-NIIDSAIPSA-N
MW310.80 g/mol
LogP1.91
Rot. Bonds6

About 2-(furan-2-ylmethyl)-6-[2-(trideuteriomethylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride

2-(furan-2-ylmethyl)-6-[2-(trideuteriomethylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 175868336) has the molecular formula C14H18ClN5O and a molecular weight of 310.80 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-6-[2-(trideuteriomethylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-6-[2-(trideuteriomethylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID175868336
Molecular FormulaC14H18ClN5O
Molecular Weight310.80 g/mol
Exact Mass310.14
IUPAC Name2-(furan-2-ylmethyl)-6-[2-(trideuteriomethylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCl.[2H]C([2H])([2H])NCCc1cc2c(N)nc(Cc3ccco3)nc2[nH]1
InChIInChI=1S/C14H17N5O.ClH/c1-16-5-4-9-7-11-13(15)18-12(19-14(11)17-9)8-10-3-2-6-20-10;/h2-3,6-7,16H,4-5,8H2,1H3,(H3,15,17,18,19);1H/i1D3;
InChIKeyRJHMDIYCUSHTSI-NIIDSAIPSA-N
XLogP1.91
TPSA92.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-6-[2-(trideuteriomethylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-(furan-2-ylmethyl)-6-[2-(trideuteriomethylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride (CID 175868336) is 2-(furan-2-ylmethyl)-6-[2-(trideuteriomethylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-(furan-2-ylmethyl)-6-[2-(trideuteriomethylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-(furan-2-ylmethyl)-6-[2-(trideuteriomethylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride is Cl.[2H]C([2H])([2H])NCCc1cc2c(N)nc(Cc3ccco3)nc2[nH]1.
What is the InChIKey of 2-(furan-2-ylmethyl)-6-[2-(trideuteriomethylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is RJHMDIYCUSHTSI-NIIDSAIPSA-N. The full InChI is InChI=1S/C14H17N5O.ClH/c1-16-5-4-9-7-11-13(15)18-12(19-14(11)17-9)8-10-3-2-6-20-10;/h2-3,6-7,16H,4-5,8H2,1H3,(H3,15,17,18,19);1H/i1D3;.
What are the key properties of 2-(furan-2-ylmethyl)-6-[2-(trideuteriomethylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride?
2-(furan-2-ylmethyl)-6-[2-(trideuteriomethylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 310.80 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-6-[2-(trideuteriomethylamino)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 175868336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).