(2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol

C12H19N5O — CID 129103735

IUPAC(2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
SMILESCCCC[C@@H](CO)Nc1nc(N)nc2cc[nH]c12
InChIInChI=1S/C12H19N5O/c1-2-3-4-8(7-18)15-11-10-9(5-6-14-10)16-12(13)17-11/h5-6,8,14,18H,2-4,7H2,1H3,(H3,13,15,16,17)/t8-/m0/s1
InChIKeyFRUUVGCZLTYJPG-QMMMGPOBSA-N
MW249.32 g/mol
LogP1.50
Rot. Bonds6

About (2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol

(2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol (PubChem CID 129103735) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is (2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
PubChem CID129103735
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name(2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
SMILESCCCC[C@@H](CO)Nc1nc(N)nc2cc[nH]c12
InChIInChI=1S/C12H19N5O/c1-2-3-4-8(7-18)15-11-10-9(5-6-14-10)16-12(13)17-11/h5-6,8,14,18H,2-4,7H2,1H3,(H3,13,15,16,17)/t8-/m0/s1
InChIKeyFRUUVGCZLTYJPG-QMMMGPOBSA-N
XLogP1.50
TPSA99.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol with MolForge

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Related Compounds

(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 122585335
(2S)-2-[(2-amino-6-methylquinazolin-4-yl)amino]hexan-1-ol
CID 71041915
(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane
CID 158174222
(2R)-2-[(2-amino-7-ethoxyquinazolin-4-yl)amino]hexan-1-ol
CID 157344193
2-[(2-amino-5-fluoroquinazolin-4-yl)amino]pentan-1-ol
CID 167045236
2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122585046
(2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 121402889
2-amino-4-[[(3R)-hexan-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 170186453
(2S)-2-[[2-amino-5-[(5-bromo-2-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 118484054
(2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 122598706
(5R)-5-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]nonan-2-one
CID 158505889
methyl 2-amino-4-[[(2S)-1-hydroxypentan-2-yl]amino]quinazoline-7-carboxylate
CID 71041916

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol?
The IUPAC name of (2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol (CID 129103735) is (2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol.
What is the SMILES notation for (2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol?
The canonical SMILES for (2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol is CCCC[C@@H](CO)Nc1nc(N)nc2cc[nH]c12.
What is the InChIKey of (2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol?
The InChIKey is FRUUVGCZLTYJPG-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-3-4-8(7-18)15-11-10-9(5-6-14-10)16-12(13)17-11/h5-6,8,14,18H,2-4,7H2,1H3,(H3,13,15,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol?
(2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol has a molecular weight of 249.32 g/mol, XLogP of 1.50, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol is sourced from PubChem (CID 129103735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).