4-amino-1-(3-amino-2-hydroxypropyl)pyrimidin-2-one

C7H12N4O2 — CID 10464996

IUPAC4-amino-1-(3-amino-2-hydroxypropyl)pyrimidin-2-one
SMILESNCC(O)Cn1ccc(N)nc1=O
InChIInChI=1S/C7H12N4O2/c8-3-5(12)4-11-2-1-6(9)10-7(11)13/h1-2,5,12H,3-4,8H2,(H2,9,10,13)
InChIKeyCNLRTZNIGHEZFJ-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.85
Rot. Bonds3

About 4-amino-1-(3-amino-2-hydroxypropyl)pyrimidin-2-one

4-amino-1-(3-amino-2-hydroxypropyl)pyrimidin-2-one (PubChem CID 10464996) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 4-amino-1-(3-amino-2-hydroxypropyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(3-amino-2-hydroxypropyl)pyrimidin-2-one
PubChem CID10464996
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name4-amino-1-(3-amino-2-hydroxypropyl)pyrimidin-2-one
SMILESNCC(O)Cn1ccc(N)nc1=O
InChIInChI=1S/C7H12N4O2/c8-3-5(12)4-11-2-1-6(9)10-7(11)13/h1-2,5,12H,3-4,8H2,(H2,9,10,13)
InChIKeyCNLRTZNIGHEZFJ-UHFFFAOYSA-N
XLogP-1.85
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-amino-2-hydroxypropyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(3-amino-2-hydroxypropyl)pyrimidin-2-one (CID 10464996) is 4-amino-1-(3-amino-2-hydroxypropyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(3-amino-2-hydroxypropyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(3-amino-2-hydroxypropyl)pyrimidin-2-one is NCC(O)Cn1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-(3-amino-2-hydroxypropyl)pyrimidin-2-one?
The InChIKey is CNLRTZNIGHEZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c8-3-5(12)4-11-2-1-6(9)10-7(11)13/h1-2,5,12H,3-4,8H2,(H2,9,10,13).
What are the key properties of 4-amino-1-(3-amino-2-hydroxypropyl)pyrimidin-2-one?
4-amino-1-(3-amino-2-hydroxypropyl)pyrimidin-2-one has a molecular weight of 184.20 g/mol, XLogP of -1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-amino-2-hydroxypropyl)pyrimidin-2-one is sourced from PubChem (CID 10464996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).