2-amino-3-(2,4-diaminopyrimidin-5-yl)propan-1-ol

C7H13N5O — CID 131098978

IUPAC2-amino-3-(2,4-diaminopyrimidin-5-yl)propan-1-ol
SMILESNc1ncc(CC(N)CO)c(N)n1
InChIInChI=1S/C7H13N5O/c8-5(3-13)1-4-2-11-7(10)12-6(4)9/h2,5,13H,1,3,8H2,(H4,9,10,11,12)
InChIKeyQOORBTUTVLRERG-UHFFFAOYSA-N
MW183.22 g/mol
LogP-1.50
Rot. Bonds3

About 2-amino-3-(2,4-diaminopyrimidin-5-yl)propan-1-ol

2-amino-3-(2,4-diaminopyrimidin-5-yl)propan-1-ol (PubChem CID 131098978) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is 2-amino-3-(2,4-diaminopyrimidin-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2,4-diaminopyrimidin-5-yl)propan-1-ol
PubChem CID131098978
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Name2-amino-3-(2,4-diaminopyrimidin-5-yl)propan-1-ol
SMILESNc1ncc(CC(N)CO)c(N)n1
InChIInChI=1S/C7H13N5O/c8-5(3-13)1-4-2-11-7(10)12-6(4)9/h2,5,13H,1,3,8H2,(H4,9,10,11,12)
InChIKeyQOORBTUTVLRERG-UHFFFAOYSA-N
XLogP-1.50
TPSA124.07 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-aminopropyl)pyrimidine-2,4-diamine;bis(2,2,2-trifluoroacetic acid)
CID 87573940
(2,4-diaminopyrimidin-5-yl)methanethiol
CID 141014198
5-(2-iodoethyl)pyrimidine-2,4-diamine
CID 130205960
(2S)-2-amino-3-(4-amino-2-methylpyrimidin-5-yl)propanoic acid
CID 26792673
5-hexylpyrimidine-2,4-diamine
CID 23086565
2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol
CID 130854232
5-(oxetan-3-ylmethyl)pyrimidine-2,4-diamine
CID 145385503
2-(4-amino-2-methylpyrimidin-5-yl)ethanol
CID 129317411
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
5-(aminomethyl)-4-propan-2-ylpyrimidin-2-amine
CID 82502995
2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride
CID 3048994
2-amino-3-(2-amino-4,6-dichloropyrimidin-5-yl)propan-1-ol;hydrochloride
CID 170892753

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,4-diaminopyrimidin-5-yl)propan-1-ol?
The IUPAC name of 2-amino-3-(2,4-diaminopyrimidin-5-yl)propan-1-ol (CID 131098978) is 2-amino-3-(2,4-diaminopyrimidin-5-yl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(2,4-diaminopyrimidin-5-yl)propan-1-ol?
The canonical SMILES for 2-amino-3-(2,4-diaminopyrimidin-5-yl)propan-1-ol is Nc1ncc(CC(N)CO)c(N)n1.
What is the InChIKey of 2-amino-3-(2,4-diaminopyrimidin-5-yl)propan-1-ol?
The InChIKey is QOORBTUTVLRERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c8-5(3-13)1-4-2-11-7(10)12-6(4)9/h2,5,13H,1,3,8H2,(H4,9,10,11,12).
What are the key properties of 2-amino-3-(2,4-diaminopyrimidin-5-yl)propan-1-ol?
2-amino-3-(2,4-diaminopyrimidin-5-yl)propan-1-ol has a molecular weight of 183.22 g/mol, XLogP of -1.50, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,4-diaminopyrimidin-5-yl)propan-1-ol is sourced from PubChem (CID 131098978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).