(2S)-2-[(5-aminopyrimidin-2-yl)amino]propan-1-ol

C7H12N4O — CID 59301327

IUPAC(2S)-2-[(5-aminopyrimidin-2-yl)amino]propan-1-ol
SMILESC[C@@H](CO)Nc1ncc(N)cn1
InChIInChI=1S/C7H12N4O/c1-5(4-12)11-7-9-2-6(8)3-10-7/h2-3,5,12H,4,8H2,1H3,(H,9,10,11)/t5-/m0/s1
InChIKeyPBLIPAMNWBMJHQ-YFKPBYRVSA-N
MW168.20 g/mol
LogP-0.15
Rot. Bonds3

About (2S)-2-[(5-aminopyrimidin-2-yl)amino]propan-1-ol

(2S)-2-[(5-aminopyrimidin-2-yl)amino]propan-1-ol (PubChem CID 59301327) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is (2S)-2-[(5-aminopyrimidin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(5-aminopyrimidin-2-yl)amino]propan-1-ol
PubChem CID59301327
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name(2S)-2-[(5-aminopyrimidin-2-yl)amino]propan-1-ol
SMILESC[C@@H](CO)Nc1ncc(N)cn1
InChIInChI=1S/C7H12N4O/c1-5(4-12)11-7-9-2-6(8)3-10-7/h2-3,5,12H,4,8H2,1H3,(H,9,10,11)/t5-/m0/s1
InChIKeyPBLIPAMNWBMJHQ-YFKPBYRVSA-N
XLogP-0.15
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-aminopyrimidin-2-yl)amino]propan-1-ol?
The IUPAC name of (2S)-2-[(5-aminopyrimidin-2-yl)amino]propan-1-ol (CID 59301327) is (2S)-2-[(5-aminopyrimidin-2-yl)amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(5-aminopyrimidin-2-yl)amino]propan-1-ol?
The canonical SMILES for (2S)-2-[(5-aminopyrimidin-2-yl)amino]propan-1-ol is C[C@@H](CO)Nc1ncc(N)cn1.
What is the InChIKey of (2S)-2-[(5-aminopyrimidin-2-yl)amino]propan-1-ol?
The InChIKey is PBLIPAMNWBMJHQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5(4-12)11-7-9-2-6(8)3-10-7/h2-3,5,12H,4,8H2,1H3,(H,9,10,11)/t5-/m0/s1.
What are the key properties of (2S)-2-[(5-aminopyrimidin-2-yl)amino]propan-1-ol?
(2S)-2-[(5-aminopyrimidin-2-yl)amino]propan-1-ol has a molecular weight of 168.20 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-aminopyrimidin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 59301327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).