4-[(3-methyl-2-propan-2-ylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

C15H27N3O — CID 136750475

IUPAC4-[(3-methyl-2-propan-2-ylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC(C(C)C)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C15H27N3O/c1-9(2)12(10(3)4)8-16-13-7-14(19)18-15(17-13)11(5)6/h7,9-12H,8H2,1-6H3,(H2,16,17,18,19)
InChIKeyWICDPPBUNVLCKC-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.23
Rot. Bonds6

About 4-[(3-methyl-2-propan-2-ylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[(3-methyl-2-propan-2-ylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136750475) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[(3-methyl-2-propan-2-ylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-methyl-2-propan-2-ylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136750475
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4-[(3-methyl-2-propan-2-ylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC(C(C)C)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C15H27N3O/c1-9(2)12(10(3)4)8-16-13-7-14(19)18-15(17-13)11(5)6/h7,9-12H,8H2,1-6H3,(H2,16,17,18,19)
InChIKeyWICDPPBUNVLCKC-UHFFFAOYSA-N
XLogP3.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-propan-2-ylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-methyl-2-propan-2-ylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136750475) is 4-[(3-methyl-2-propan-2-ylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-methyl-2-propan-2-ylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-methyl-2-propan-2-ylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCC(C(C)C)C(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-[(3-methyl-2-propan-2-ylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is WICDPPBUNVLCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-9(2)12(10(3)4)8-16-13-7-14(19)18-15(17-13)11(5)6/h7,9-12H,8H2,1-6H3,(H2,16,17,18,19).
What are the key properties of 4-[(3-methyl-2-propan-2-ylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(3-methyl-2-propan-2-ylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 265.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-2-propan-2-ylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136750475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).