4-[(3-amino-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one

C10H18N4O2 — CID 136805754

IUPAC4-[(3-amino-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCOCC(N)CCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H18N4O2/c1-7-13-9(5-10(15)14-7)12-4-3-8(11)6-16-2/h5,8H,3-4,6,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyXBVMXONSKWGPGN-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.15
Rot. Bonds6

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

4-[(3-amino-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136805754) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-[(3-amino-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-amino-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136805754
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-[(3-amino-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCOCC(N)CCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H18N4O2/c1-7-13-9(5-10(15)14-7)12-4-3-8(11)6-16-2/h5,8H,3-4,6,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyXBVMXONSKWGPGN-UHFFFAOYSA-N
XLogP-0.15
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-ethoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136696624
4-[(3-methoxycyclobutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136696634
2-ethyl-4-[(3-methoxycyclobutyl)amino]-1H-pyrimidin-6-one
CID 136696642
4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136723588
2-ethyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723598
4-[3-(2-aminoethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136730544
4-[3-(2-aminoethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one
CID 136730547
4-[(3-amino-4-methoxybutyl)amino]-1H-pyrimidin-6-one
CID 136805756
4-[(3-amino-4-methoxybutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136805761
4-[(3-amino-4-methoxybutyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136805764
2-(methoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one
CID 136818885
2-(ethoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one
CID 136818886

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-amino-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136805754) is 4-[(3-amino-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-amino-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-amino-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one is COCC(N)CCNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-[(3-amino-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is XBVMXONSKWGPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7-13-9(5-10(15)14-7)12-4-3-8(11)6-16-2/h5,8H,3-4,6,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-[(3-amino-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(3-amino-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of -0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-methoxybutyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136805754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).