4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine

C15H26N4O — CID 80851876

IUPAC4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(C)CCOCC2CC2)c1C
InChIInChI=1S/C15H26N4O/c1-4-7-16-14-12(2)15(18-11-17-14)19(3)8-9-20-10-13-5-6-13/h11,13H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyUZQXJICCVSWNDL-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.47
Rot. Bonds9

About 4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine

4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80851876) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80851876
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(C)CCOCC2CC2)c1C
InChIInChI=1S/C15H26N4O/c1-4-7-16-14-12(2)15(18-11-17-14)19(3)8-9-20-10-13-5-6-13/h11,13H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyUZQXJICCVSWNDL-UHFFFAOYSA-N
XLogP2.47
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.47
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

4-N-(2-ethoxyethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 81068418
4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80838133
4-N-(cyclopropylmethyl)-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80799239
4-N-(4-ethylcyclohexyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80779258
5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80852163
4-N,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80850244
N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 114098261
N-[2-(cyclopropylmethoxy)ethyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 114098263
4-N-(2-cyclopropylethyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80847611
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80834597
4-N-(4,4-dimethylcyclohexyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80839629
4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 114098683

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine (CID 80851876) is 4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(N(C)CCOCC2CC2)c1C.
What is the InChIKey of 4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is UZQXJICCVSWNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-7-16-14-12(2)15(18-11-17-14)19(3)8-9-20-10-13-5-6-13/h11,13H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine?
4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80851876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).