3-methyl-1-N-(6-propoxypyrimidin-4-yl)butane-1,2-diamine

C12H22N4O — CID 66331778

IUPAC3-methyl-1-N-(6-propoxypyrimidin-4-yl)butane-1,2-diamine
SMILESCCCOc1cc(NCC(N)C(C)C)ncn1
InChIInChI=1S/C12H22N4O/c1-4-5-17-12-6-11(15-8-16-12)14-7-10(13)9(2)3/h6,8-10H,4-5,7,13H2,1-3H3,(H,14,15,16)
InChIKeyPAHNFSREBIGRLA-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.66
Rot. Bonds7

About 3-methyl-1-N-(6-propoxypyrimidin-4-yl)butane-1,2-diamine

3-methyl-1-N-(6-propoxypyrimidin-4-yl)butane-1,2-diamine (PubChem CID 66331778) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-methyl-1-N-(6-propoxypyrimidin-4-yl)butane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-1-N-(6-propoxypyrimidin-4-yl)butane-1,2-diamine
PubChem CID66331778
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-methyl-1-N-(6-propoxypyrimidin-4-yl)butane-1,2-diamine
SMILESCCCOc1cc(NCC(N)C(C)C)ncn1
InChIInChI=1S/C12H22N4O/c1-4-5-17-12-6-11(15-8-16-12)14-7-10(13)9(2)3/h6,8-10H,4-5,7,13H2,1-3H3,(H,14,15,16)
InChIKeyPAHNFSREBIGRLA-UHFFFAOYSA-N
XLogP1.66
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(6-ethoxypyrimidin-4-yl)-3-methylbutane-1,2-diamine
CID 66319691
N-(2-ethylhexyl)-6-propoxypyrimidin-4-amine
CID 107816415
2-[[(6-propoxypyrimidin-4-yl)amino]methyl]butanoic acid
CID 66331358
N-(2-chloro-2-phenylethyl)-6-propoxypyrimidin-4-amine
CID 66331181
N-(5-methylhexyl)-6-propoxypyrimidin-4-amine
CID 115326257
N-(6-ethoxypyrimidin-4-yl)-2-methylbutane-1,4-diamine
CID 66333180
N-[3-(2-aminoethoxy)propyl]-6-propoxypyrimidin-4-amine
CID 106308236
3-methyl-1-N-(4-propoxypyrimidin-2-yl)butane-1,2-diamine
CID 112638691
N-[[1-(aminomethyl)cyclopropyl]methyl]-6-propoxypyrimidin-4-amine
CID 113313752
N-(6-ethoxypyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine
CID 115303214
N-pent-3-ynyl-6-propoxypyrimidin-4-amine
CID 116644597
N',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine
CID 66328807

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-N-(6-propoxypyrimidin-4-yl)butane-1,2-diamine?
The IUPAC name of 3-methyl-1-N-(6-propoxypyrimidin-4-yl)butane-1,2-diamine (CID 66331778) is 3-methyl-1-N-(6-propoxypyrimidin-4-yl)butane-1,2-diamine.
What is the SMILES notation for 3-methyl-1-N-(6-propoxypyrimidin-4-yl)butane-1,2-diamine?
The canonical SMILES for 3-methyl-1-N-(6-propoxypyrimidin-4-yl)butane-1,2-diamine is CCCOc1cc(NCC(N)C(C)C)ncn1.
What is the InChIKey of 3-methyl-1-N-(6-propoxypyrimidin-4-yl)butane-1,2-diamine?
The InChIKey is PAHNFSREBIGRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-5-17-12-6-11(15-8-16-12)14-7-10(13)9(2)3/h6,8-10H,4-5,7,13H2,1-3H3,(H,14,15,16).
What are the key properties of 3-methyl-1-N-(6-propoxypyrimidin-4-yl)butane-1,2-diamine?
3-methyl-1-N-(6-propoxypyrimidin-4-yl)butane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-N-(6-propoxypyrimidin-4-yl)butane-1,2-diamine is sourced from PubChem (CID 66331778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).