N-cyclopropyl-N'-(6-methoxy-5-methylpyrimidin-4-yl)propane-1,3-diamine

C12H20N4O — CID 66332349

IUPACN-cyclopropyl-N'-(6-methoxy-5-methylpyrimidin-4-yl)propane-1,3-diamine
SMILESCOc1ncnc(NCCCNC2CC2)c1C
InChIInChI=1S/C12H20N4O/c1-9-11(15-8-16-12(9)17-2)14-7-3-6-13-10-4-5-10/h8,10,13H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyICZTZIRDTOWJDO-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.35
Rot. Bonds7

About N-cyclopropyl-N'-(6-methoxy-5-methylpyrimidin-4-yl)propane-1,3-diamine

N-cyclopropyl-N'-(6-methoxy-5-methylpyrimidin-4-yl)propane-1,3-diamine (PubChem CID 66332349) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-cyclopropyl-N'-(6-methoxy-5-methylpyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(6-methoxy-5-methylpyrimidin-4-yl)propane-1,3-diamine
PubChem CID66332349
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-cyclopropyl-N'-(6-methoxy-5-methylpyrimidin-4-yl)propane-1,3-diamine
SMILESCOc1ncnc(NCCCNC2CC2)c1C
InChIInChI=1S/C12H20N4O/c1-9-11(15-8-16-12(9)17-2)14-7-3-6-13-10-4-5-10/h8,10,13H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyICZTZIRDTOWJDO-UHFFFAOYSA-N
XLogP1.35
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-6-methoxy-5-methylpyrimidin-4-amine
CID 66325235
6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine
CID 82943748
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
N-[2-(cyclopropylmethoxy)ethyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 114098263
N'-cyclopropyl-N-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 66325432
5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162116
6-methoxy-5-methyl-N-(3-phenoxypropyl)pyrimidin-4-amine
CID 66324814
N-(6-methoxy-5-methylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66327244
6-methoxy-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66324992
4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 114148469
6-methoxy-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 66325409
N-(2-chloro-2-cyclopropylethyl)-6-methoxy-5-methylpyrimidin-4-amine
CID 66326139

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(6-methoxy-5-methylpyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-(6-methoxy-5-methylpyrimidin-4-yl)propane-1,3-diamine (CID 66332349) is N-cyclopropyl-N'-(6-methoxy-5-methylpyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(6-methoxy-5-methylpyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-(6-methoxy-5-methylpyrimidin-4-yl)propane-1,3-diamine is COc1ncnc(NCCCNC2CC2)c1C.
What is the InChIKey of N-cyclopropyl-N'-(6-methoxy-5-methylpyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is ICZTZIRDTOWJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-11(15-8-16-12(9)17-2)14-7-3-6-13-10-4-5-10/h8,10,13H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of N-cyclopropyl-N'-(6-methoxy-5-methylpyrimidin-4-yl)propane-1,3-diamine?
N-cyclopropyl-N'-(6-methoxy-5-methylpyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(6-methoxy-5-methylpyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 66332349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).