4-amino-1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one

C10H15N3O3 — CID 10513378

IUPAC4-amino-1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one
SMILESNc1ccn(C[C@]2(CO)C[C@H]2CO)c(=O)n1
InChIInChI=1S/C10H15N3O3/c11-8-1-2-13(9(16)12-8)5-10(6-15)3-7(10)4-14/h1-2,7,14-15H,3-6H2,(H2,11,12,16)/t7-,10-/m0/s1
InChIKeyVLYJANVHTCQPMC-XVKPBYJWSA-N
MW225.25 g/mol
LogP-1.18
Rot. Bonds4

About 4-amino-1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one

4-amino-1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one (PubChem CID 10513378) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-amino-1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one
PubChem CID10513378
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-amino-1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one
SMILESNc1ccn(C[C@]2(CO)C[C@H]2CO)c(=O)n1
InChIInChI=1S/C10H15N3O3/c11-8-1-2-13(9(16)12-8)5-10(6-15)3-7(10)4-14/h1-2,7,14-15H,3-6H2,(H2,11,12,16)/t7-,10-/m0/s1
InChIKeyVLYJANVHTCQPMC-XVKPBYJWSA-N
XLogP-1.18
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one (CID 10513378) is 4-amino-1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one is Nc1ccn(C[C@]2(CO)C[C@H]2CO)c(=O)n1.
What is the InChIKey of 4-amino-1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one?
The InChIKey is VLYJANVHTCQPMC-XVKPBYJWSA-N. The full InChI is InChI=1S/C10H15N3O3/c11-8-1-2-13(9(16)12-8)5-10(6-15)3-7(10)4-14/h1-2,7,14-15H,3-6H2,(H2,11,12,16)/t7-,10-/m0/s1.
What are the key properties of 4-amino-1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one?
4-amino-1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one has a molecular weight of 225.25 g/mol, XLogP of -1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one is sourced from PubChem (CID 10513378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).