2-methyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one

C12H21N3O2 — CID 136764964

IUPAC2-methyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCCCOCC(C)C)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-9(2)8-17-6-4-5-13-11-7-12(16)15-10(3)14-11/h7,9H,4-6,8H2,1-3H3,(H2,13,14,15,16)
InChIKeyCXHDJNHLKOMXPU-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.55
Rot. Bonds7

About 2-methyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one

2-methyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one (PubChem CID 136764964) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-methyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
PubChem CID136764964
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-methyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCCCOCC(C)C)cc(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-9(2)8-17-6-4-5-13-11-7-12(16)15-10(3)14-11/h7,9H,4-6,8H2,1-3H3,(H2,13,14,15,16)
InChIKeyCXHDJNHLKOMXPU-UHFFFAOYSA-N
XLogP1.55
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.55
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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Related Compounds

2-propan-2-yl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975765
4-[2-(2,2-difluoroethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136999737
4-(2-fluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137273012
2-ethyl-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136633030
ethyl 2-[4-(diethylamino)-6-oxo-1H-pyrimidin-2-yl]acetate
CID 137045061
4-[3-(dimethylamino)propoxy]-2-methyl-1H-pyrimidin-6-one
CID 103241441
2-propan-2-yl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
CID 113604869
4-[3-(dimethylamino)propoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 113792735
4-(3-aminopropoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586367
2-methyl-4-[3-(propan-2-ylamino)propoxy]-1H-pyrimidin-6-one
CID 114586396
2-(1-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 116502286
2-methyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136290652

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one (CID 136764964) is 2-methyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one is Cc1nc(NCCCOCC(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one?
The InChIKey is CXHDJNHLKOMXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)8-17-6-4-5-13-11-7-12(16)15-10(3)14-11/h7,9H,4-6,8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-methyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one?
2-methyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one has a molecular weight of 239.32 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136764964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).