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

C11H20N4O — CID 136956570

IUPAC2-methyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCCN(C)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H20N4O/c1-8(2)15(4)6-5-12-10-7-11(16)14-9(3)13-10/h7-8H,5-6H2,1-4H3,(H2,12,13,14,16)
InChIKeyZXCIDXVHIZKABC-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.83
Rot. Bonds5

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

2-methyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]-1H-pyrimidin-6-one (PubChem CID 136956570) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-methyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]-1H-pyrimidin-6-one
PubChem CID136956570
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-methyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCCN(C)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H20N4O/c1-8(2)15(4)6-5-12-10-7-11(16)14-9(3)13-10/h7-8H,5-6H2,1-4H3,(H2,12,13,14,16)
InChIKeyZXCIDXVHIZKABC-UHFFFAOYSA-N
XLogP0.83
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one
CID 137000544
2-methyl-4-(5-methylhexylamino)-1H-pyrimidin-6-one
CID 136957022
2-methyl-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one
CID 136957285
2-ethyl-4-[4-[methyl(propan-2-yl)amino]butylamino]-1H-pyrimidin-6-one
CID 136975212
2-methyl-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955955
4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956028
4-(3-aminopentylamino)-2-methyl-1H-pyrimidin-6-one
CID 137008779
2-methyl-4-(3-phenylbutylamino)-1H-pyrimidin-6-one
CID 136956626
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958373
4-(hexylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956727
N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
CID 136956102
4-(2-cyclopropylethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956867

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]-1H-pyrimidin-6-one (CID 136956570) is 2-methyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]-1H-pyrimidin-6-one is Cc1nc(NCCN(C)C(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]-1H-pyrimidin-6-one?
The InChIKey is ZXCIDXVHIZKABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)15(4)6-5-12-10-7-11(16)14-9(3)13-10/h7-8H,5-6H2,1-4H3,(H2,12,13,14,16).
What are the key properties of 2-methyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]-1H-pyrimidin-6-one?
2-methyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]-1H-pyrimidin-6-one has a molecular weight of 224.31 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).