N-(2-cyclopropyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine

C13H22N4O — CID 82456372

IUPACN-(2-cyclopropyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1cc(NCCCN(C)C)nc(C2CC2)n1
InChIInChI=1S/C13H22N4O/c1-17(2)8-4-7-14-11-9-12(18-3)16-13(15-11)10-5-6-10/h9-10H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyKVCXFJTYMCCLMA-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.73
Rot. Bonds7

About N-(2-cyclopropyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine

N-(2-cyclopropyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 82456372) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(2-cyclopropyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-cyclopropyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID82456372
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(2-cyclopropyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1cc(NCCCN(C)C)nc(C2CC2)n1
InChIInChI=1S/C13H22N4O/c1-17(2)8-4-7-14-11-9-12(18-3)16-13(15-11)10-5-6-10/h9-10H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyKVCXFJTYMCCLMA-UHFFFAOYSA-N
XLogP1.73
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopropyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456457
2-cyclopropyl-N-(3-ethoxypropyl)-6-methoxypyrimidin-4-amine
CID 82456362
2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine
CID 80966841
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953399
N-butyl-2-cyclohexyl-6-methoxypyrimidin-4-amine
CID 82458344
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 66324958
N-(2-cyclopropyl-6-propoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 82456458
N-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 113292899
2-cyclohexyl-6-methoxy-N-(3-methylbutyl)pyrimidin-4-amine
CID 82458360
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80948311
N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 82456448
2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80959411

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(2-cyclopropyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine (CID 82456372) is N-(2-cyclopropyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(2-cyclopropyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(2-cyclopropyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine is COc1cc(NCCCN(C)C)nc(C2CC2)n1.
What is the InChIKey of N-(2-cyclopropyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is KVCXFJTYMCCLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-17(2)8-4-7-14-11-9-12(18-3)16-13(15-11)10-5-6-10/h9-10H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of N-(2-cyclopropyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(2-cyclopropyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 82456372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).