4-[bis(3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one

C15H27N3O2 — CID 136918145

IUPAC4-[bis(3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(CCC(C)C)CCC(C)C)nc[nH]c1=O
InChIInChI=1S/C15H27N3O2/c1-11(2)6-8-18(9-7-12(3)4)14-13(20-5)15(19)17-10-16-14/h10-12H,6-9H2,1-5H3,(H,16,17,19)
InChIKeyGQGFELPSPRHRJW-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.68
Rot. Bonds8

About 4-[bis(3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[bis(3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136918145) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[bis(3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[bis(3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136918145
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name4-[bis(3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(CCC(C)C)CCC(C)C)nc[nH]c1=O
InChIInChI=1S/C15H27N3O2/c1-11(2)6-8-18(9-7-12(3)4)14-13(20-5)15(19)17-10-16-14/h10-12H,6-9H2,1-5H3,(H,16,17,19)
InChIKeyGQGFELPSPRHRJW-UHFFFAOYSA-N
XLogP2.68
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1H-pyrimidin-6-one
CID 136974114
4-[ethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009244
5-methoxy-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 137009783
5-methoxy-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009788
5-methoxy-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009793
4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973502
5-methoxy-4-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009086
4-[2-(diethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one
CID 103241415
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
CID 114585322
4-(ethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136294602
5-methoxy-4-(propylamino)-1H-pyrimidin-6-one
CID 136294603
4-(3-amino-4-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136677201

Frequently Asked Questions

What is the IUPAC name of 4-[bis(3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[bis(3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136918145) is 4-[bis(3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[bis(3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[bis(3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(N(CCC(C)C)CCC(C)C)nc[nH]c1=O.
What is the InChIKey of 4-[bis(3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is GQGFELPSPRHRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11(2)6-8-18(9-7-12(3)4)14-13(20-5)15(19)17-10-16-14/h10-12H,6-9H2,1-5H3,(H,16,17,19).
What are the key properties of 4-[bis(3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[bis(3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 281.40 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136918145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).