2-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-3-methylsulfanylpropan-1-ol

C11H17N5OS — CID 66553672

IUPAC2-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-3-methylsulfanylpropan-1-ol
SMILESCSCC(CO)NCc1c[nH]c2c(N)ncnc12
InChIInChI=1S/C11H17N5OS/c1-18-5-8(4-17)13-2-7-3-14-10-9(7)15-6-16-11(10)12/h3,6,8,13-14,17H,2,4-5H2,1H3,(H2,12,15,16)
InChIKeyHRAYHKFOFQZQBS-UHFFFAOYSA-N
MW267.36 g/mol
LogP0.35
Rot. Bonds6

About 2-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-3-methylsulfanylpropan-1-ol

2-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-3-methylsulfanylpropan-1-ol (PubChem CID 66553672) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-3-methylsulfanylpropan-1-ol.

Molecular Properties

Compound Name2-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-3-methylsulfanylpropan-1-ol
PubChem CID66553672
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name2-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-3-methylsulfanylpropan-1-ol
SMILESCSCC(CO)NCc1c[nH]c2c(N)ncnc12
InChIInChI=1S/C11H17N5OS/c1-18-5-8(4-17)13-2-7-3-14-10-9(7)15-6-16-11(10)12/h3,6,8,13-14,17H,2,4-5H2,1H3,(H2,12,15,16)
InChIKeyHRAYHKFOFQZQBS-UHFFFAOYSA-N
XLogP0.35
TPSA99.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-3-methylsulfanylpropan-1-ol?
The IUPAC name of 2-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-3-methylsulfanylpropan-1-ol (CID 66553672) is 2-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-3-methylsulfanylpropan-1-ol.
What is the SMILES notation for 2-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-3-methylsulfanylpropan-1-ol?
The canonical SMILES for 2-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-3-methylsulfanylpropan-1-ol is CSCC(CO)NCc1c[nH]c2c(N)ncnc12.
What is the InChIKey of 2-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-3-methylsulfanylpropan-1-ol?
The InChIKey is HRAYHKFOFQZQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-18-5-8(4-17)13-2-7-3-14-10-9(7)15-6-16-11(10)12/h3,6,8,13-14,17H,2,4-5H2,1H3,(H2,12,15,16).
What are the key properties of 2-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-3-methylsulfanylpropan-1-ol?
2-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-3-methylsulfanylpropan-1-ol has a molecular weight of 267.36 g/mol, XLogP of 0.35, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-3-methylsulfanylpropan-1-ol is sourced from PubChem (CID 66553672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).