5-amino-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one

C10H18N4O2 — CID 20570053

IUPAC5-amino-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one
SMILESCC(C)OCCCNc1ncc(N)c(=O)[nH]1
InChIInChI=1S/C10H18N4O2/c1-7(2)16-5-3-4-12-10-13-6-8(11)9(15)14-10/h6-7H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyGOXWBGGCPPCRHX-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.58
Rot. Bonds6

About 5-amino-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one

5-amino-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one (PubChem CID 20570053) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-amino-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one
PubChem CID20570053
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-amino-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one
SMILESCC(C)OCCCNc1ncc(N)c(=O)[nH]1
InChIInChI=1S/C10H18N4O2/c1-7(2)16-5-3-4-12-10-13-6-8(11)9(15)14-10/h6-7H,3-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyGOXWBGGCPPCRHX-UHFFFAOYSA-N
XLogP0.58
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one (CID 20570053) is 5-amino-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one is CC(C)OCCCNc1ncc(N)c(=O)[nH]1.
What is the InChIKey of 5-amino-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is GOXWBGGCPPCRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7(2)16-5-3-4-12-10-13-6-8(11)9(15)14-10/h6-7H,3-5,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-amino-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one?
5-amino-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 20570053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).