4-[2-(cyclopropylmethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one

C13H21N3O2 — CID 136764985

IUPAC4-[2-(cyclopropylmethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCOCC2CC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-9(2)13-15-11(7-12(17)16-13)14-5-6-18-8-10-3-4-10/h7,9-10H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyRRPJKBQKUBJASP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.73
Rot. Bonds7

About 4-[2-(cyclopropylmethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[2-(cyclopropylmethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136764985) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(cyclopropylmethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136764985
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[2-(cyclopropylmethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCOCC2CC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-9(2)13-15-11(7-12(17)16-13)14-5-6-18-8-10-3-4-10/h7,9-10H,3-6,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyRRPJKBQKUBJASP-UHFFFAOYSA-N
XLogP1.73
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-[2-(cyclopropylmethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(cyclopropylmethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136764985) is 4-[2-(cyclopropylmethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(cyclopropylmethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(cyclopropylmethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCCOCC2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[2-(cyclopropylmethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is RRPJKBQKUBJASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)13-15-11(7-12(17)16-13)14-5-6-18-8-10-3-4-10/h7,9-10H,3-6,8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-[2-(cyclopropylmethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[2-(cyclopropylmethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136764985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).