4-methoxy-3-N-(6-methoxy-5-methylpyrimidin-4-yl)butane-1,3-diamine

C11H20N4O2 — CID 114150985

IUPAC4-methoxy-3-N-(6-methoxy-5-methylpyrimidin-4-yl)butane-1,3-diamine
SMILESCOCC(CCN)Nc1ncnc(OC)c1C
InChIInChI=1S/C11H20N4O2/c1-8-10(13-7-14-11(8)17-3)15-9(4-5-12)6-16-2/h7,9H,4-6,12H2,1-3H3,(H,13,14,15)
InChIKeyQJHXVTWXIVPMCL-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.57
Rot. Bonds7

About 4-methoxy-3-N-(6-methoxy-5-methylpyrimidin-4-yl)butane-1,3-diamine

4-methoxy-3-N-(6-methoxy-5-methylpyrimidin-4-yl)butane-1,3-diamine (PubChem CID 114150985) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-methoxy-3-N-(6-methoxy-5-methylpyrimidin-4-yl)butane-1,3-diamine.

Molecular Properties

Compound Name4-methoxy-3-N-(6-methoxy-5-methylpyrimidin-4-yl)butane-1,3-diamine
PubChem CID114150985
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-methoxy-3-N-(6-methoxy-5-methylpyrimidin-4-yl)butane-1,3-diamine
SMILESCOCC(CCN)Nc1ncnc(OC)c1C
InChIInChI=1S/C11H20N4O2/c1-8-10(13-7-14-11(8)17-3)15-9(4-5-12)6-16-2/h7,9H,4-6,12H2,1-3H3,(H,13,14,15)
InChIKeyQJHXVTWXIVPMCL-UHFFFAOYSA-N
XLogP0.57
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methoxybutane-1,3-diamine
CID 106154660
6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-5-methylpyrimidin-4-amine
CID 66326464
4-methoxy-3-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine
CID 106154672
2-N-(6-methoxy-5-methylpyrimidin-4-yl)-3-methylbutane-1,2-diamine
CID 66333366
2-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106184118
3-N-(5-chloro-2-methoxypyrimidin-4-yl)-4-methoxybutane-1,3-diamine
CID 114151024
2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propanamide
CID 66327662
4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]pentanoic acid
CID 66334158
3-(6-methoxy-5-methylpyrimidin-4-yl)oxypropan-1-amine
CID 66331747
5-amino-4-[(4-amino-1-methoxybutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136901093
3-N-furo[3,2-c]pyridin-4-yl-4-methoxybutane-1,3-diamine
CID 106154838
5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162116

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-N-(6-methoxy-5-methylpyrimidin-4-yl)butane-1,3-diamine?
The IUPAC name of 4-methoxy-3-N-(6-methoxy-5-methylpyrimidin-4-yl)butane-1,3-diamine (CID 114150985) is 4-methoxy-3-N-(6-methoxy-5-methylpyrimidin-4-yl)butane-1,3-diamine.
What is the SMILES notation for 4-methoxy-3-N-(6-methoxy-5-methylpyrimidin-4-yl)butane-1,3-diamine?
The canonical SMILES for 4-methoxy-3-N-(6-methoxy-5-methylpyrimidin-4-yl)butane-1,3-diamine is COCC(CCN)Nc1ncnc(OC)c1C.
What is the InChIKey of 4-methoxy-3-N-(6-methoxy-5-methylpyrimidin-4-yl)butane-1,3-diamine?
The InChIKey is QJHXVTWXIVPMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8-10(13-7-14-11(8)17-3)15-9(4-5-12)6-16-2/h7,9H,4-6,12H2,1-3H3,(H,13,14,15).
What are the key properties of 4-methoxy-3-N-(6-methoxy-5-methylpyrimidin-4-yl)butane-1,3-diamine?
4-methoxy-3-N-(6-methoxy-5-methylpyrimidin-4-yl)butane-1,3-diamine has a molecular weight of 240.31 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-N-(6-methoxy-5-methylpyrimidin-4-yl)butane-1,3-diamine is sourced from PubChem (CID 114150985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).