2-cyclopropyl-6-N-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine

C15H26N4O — CID 80984884

IUPAC2-cyclopropyl-6-N-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C2CC2)nc(N(C)CCCOC)c1C
InChIInChI=1S/C15H26N4O/c1-5-16-13-11(2)15(19(3)9-6-10-20-4)18-14(17-13)12-7-8-12/h12H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyRVUFDJVVHNGAEC-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.57
Rot. Bonds8

About 2-cyclopropyl-6-N-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine

2-cyclopropyl-6-N-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80984884) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80984884
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-cyclopropyl-6-N-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C2CC2)nc(N(C)CCCOC)c1C
InChIInChI=1S/C15H26N4O/c1-5-16-13-11(2)15(19(3)9-6-10-20-4)18-14(17-13)12-7-8-12/h12H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyRVUFDJVVHNGAEC-UHFFFAOYSA-N
XLogP2.57
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.57
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

2-cyclopropyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80986849
1-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]propan-2-ol
CID 80982456
2-cyclopropyl-4-N-[2-(dimethylamino)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80984916
2-cyclopropyl-6-[2-(dimethylamino)ethoxy]-N-ethyl-5-methylpyrimidin-4-amine
CID 80988193
2-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80987802
2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80988977
4-N-butan-2-yl-2-cyclopropyl-4-N,6-N-diethyl-5-methylpyrimidine-4,6-diamine
CID 80994035
2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80983153
2-cyclopropyl-4-N-(3-methoxypropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80980570
2-cyclopropyl-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985452
2-cyclopropyl-4-N-(3-methoxypropyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80957701
4-N-butyl-2-cyclopropyl-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80981195

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine (CID 80984884) is 2-cyclopropyl-6-N-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine is CCNc1nc(C2CC2)nc(N(C)CCCOC)c1C.
What is the InChIKey of 2-cyclopropyl-6-N-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is RVUFDJVVHNGAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-16-13-11(2)15(19(3)9-6-10-20-4)18-14(17-13)12-7-8-12/h12H,5-10H2,1-4H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-6-N-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine?
2-cyclopropyl-6-N-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80984884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).