2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]ethanol

C10H14N4O — CID 123946713

IUPAC2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]ethanol
SMILESCc1ncnc2c(CNCCO)c[nH]c12
InChIInChI=1S/C10H14N4O/c1-7-9-10(14-6-13-7)8(5-12-9)4-11-2-3-15/h5-6,11-12,15H,2-4H2,1H3
InChIKeyKTRDHHAPCJWSET-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.35
Rot. Bonds4

About 2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]ethanol

2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]ethanol (PubChem CID 123946713) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]ethanol
PubChem CID123946713
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]ethanol
SMILESCc1ncnc2c(CNCCO)c[nH]c12
InChIInChI=1S/C10H14N4O/c1-7-9-10(14-6-13-7)8(5-12-9)4-11-2-3-15/h5-6,11-12,15H,2-4H2,1H3
InChIKeyKTRDHHAPCJWSET-UHFFFAOYSA-N
XLogP0.35
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[(3-hydroxypropylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one;hydrochloride
CID 135858804
7-[(4-hydroxybutylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135858823
7-(butylaminomethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 136600944
2-[[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]methyl]-3-methylsulfanylpropan-1-ol
CID 24899717
(2R,3S)-3-[[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]methyl]-4-(2-hydroxyethylsulfanyl)butan-2-ol
CID 90059719
7-[(4-ethylsulfanylbutylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135981856
(2R,3S)-3-[[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]methyl]-4-pentylsulfanylbutan-2-ol
CID 90059755
(1R,3S,5R)-2,2-difluoro-5-(hydroxymethyl)-3-(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)cyclopentan-1-ol
CID 159735294
4-[(2-hydroxyethylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 54137000
(2R,3S)-3-[[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]methyl]-4-hex-5-ynylsulfanylbutan-2-ol
CID 90059722
2-[(5-methoxy-1H-indol-3-yl)methylamino]ethanol
CID 53274319
4-ethyl-7-methyl-5H-pyrrolo[3,2-d]pyrimidine
CID 123540887

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]ethanol?
The IUPAC name of 2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]ethanol (CID 123946713) is 2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]ethanol?
The canonical SMILES for 2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]ethanol is Cc1ncnc2c(CNCCO)c[nH]c12.
What is the InChIKey of 2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]ethanol?
The InChIKey is KTRDHHAPCJWSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7-9-10(14-6-13-7)8(5-12-9)4-11-2-3-15/h5-6,11-12,15H,2-4H2,1H3.
What are the key properties of 2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]ethanol?
2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]ethanol has a molecular weight of 206.25 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]ethanol is sourced from PubChem (CID 123946713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).