(2R)-1-[[6-amino-5-(methylideneamino)pyrimidin-4-yl]-methylamino]propan-2-ol

C9H15N5O — CID 143368314

IUPAC(2R)-1-[[6-amino-5-(methylideneamino)pyrimidin-4-yl]-methylamino]propan-2-ol
SMILESC=Nc1c(N)ncnc1N(C)C[C@@H](C)O
InChIInChI=1S/C9H15N5O/c1-6(15)4-14(3)9-7(11-2)8(10)12-5-13-9/h5-6,15H,2,4H2,1,3H3,(H2,10,12,13)/t6-/m1/s1
InChIKeyWKQDJNRBUPZDOO-ZCFIWIBFSA-N
MW209.25 g/mol
LogP0.21
Rot. Bonds4

About (2R)-1-[[6-amino-5-(methylideneamino)pyrimidin-4-yl]-methylamino]propan-2-ol

(2R)-1-[[6-amino-5-(methylideneamino)pyrimidin-4-yl]-methylamino]propan-2-ol (PubChem CID 143368314) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is (2R)-1-[[6-amino-5-(methylideneamino)pyrimidin-4-yl]-methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[6-amino-5-(methylideneamino)pyrimidin-4-yl]-methylamino]propan-2-ol
PubChem CID143368314
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name(2R)-1-[[6-amino-5-(methylideneamino)pyrimidin-4-yl]-methylamino]propan-2-ol
SMILESC=Nc1c(N)ncnc1N(C)C[C@@H](C)O
InChIInChI=1S/C9H15N5O/c1-6(15)4-14(3)9-7(11-2)8(10)12-5-13-9/h5-6,15H,2,4H2,1,3H3,(H2,10,12,13)/t6-/m1/s1
InChIKeyWKQDJNRBUPZDOO-ZCFIWIBFSA-N
XLogP0.21
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2R)-1-[[6-amino-5-(methylideneamino)pyrimidin-4-yl]-methylamino]propan-2-ol with MolForge

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Related Compounds

9-(2-Hydroxypropyl)adenine, (R)-
CID 445211
9-(2-Hydroxypropyl)adenine
CID 1942
S-9-(2-hydroxypropyl)adenine
CID 445210
5-Amino-4-(3-hydroxyazetidin-1-yl)-6-(isobutylamino)pyrimidine-2-carbonitrile
CID 44565822
6-(Morpholin-4-yl)pyrimidine-4,5-diamine
CID 236836
2-((5-Amino-6-chloro-4-pyrimidinyl)amino)ethanol
CID 244527
7-(2-Hydroxypropyl)-7H-adenine
CID 44572472
4-(4-Methyl-1,4-diazepan-1-yl)-6-morpholin-4-ylpyrimidin-5-amine
CID 118738419
1-((6-Amino-5-nitropyrimidin-4-yl)amino)propan-2-ol
CID 3438067
Valaciclovir Impurity 21
CID 139229841
ethyl N-(4-amino-6-fluoropyrimidin-5-yl)methanimidate
CID 250905
Ethanol, 2,2'-[(5-amino-6-chloro-4-pyrimidinyl)imino]bis-
CID 3947221

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[6-amino-5-(methylideneamino)pyrimidin-4-yl]-methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[[6-amino-5-(methylideneamino)pyrimidin-4-yl]-methylamino]propan-2-ol (CID 143368314) is (2R)-1-[[6-amino-5-(methylideneamino)pyrimidin-4-yl]-methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[6-amino-5-(methylideneamino)pyrimidin-4-yl]-methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[[6-amino-5-(methylideneamino)pyrimidin-4-yl]-methylamino]propan-2-ol is C=Nc1c(N)ncnc1N(C)C[C@@H](C)O.
What is the InChIKey of (2R)-1-[[6-amino-5-(methylideneamino)pyrimidin-4-yl]-methylamino]propan-2-ol?
The InChIKey is WKQDJNRBUPZDOO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H15N5O/c1-6(15)4-14(3)9-7(11-2)8(10)12-5-13-9/h5-6,15H,2,4H2,1,3H3,(H2,10,12,13)/t6-/m1/s1.
What are the key properties of (2R)-1-[[6-amino-5-(methylideneamino)pyrimidin-4-yl]-methylamino]propan-2-ol?
(2R)-1-[[6-amino-5-(methylideneamino)pyrimidin-4-yl]-methylamino]propan-2-ol has a molecular weight of 209.25 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[6-amino-5-(methylideneamino)pyrimidin-4-yl]-methylamino]propan-2-ol is sourced from PubChem (CID 143368314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).