2-cyclopropyl-4-N-(3-methoxypropyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine

C15H26N4O — CID 80957701

IUPAC2-cyclopropyl-4-N-(3-methoxypropyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)CCCOC)nc(C2CC2)n1
InChIInChI=1S/C15H26N4O/c1-4-8-16-13-11-14(19(2)9-5-10-20-3)18-15(17-13)12-6-7-12/h11-12H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyDIABDAJWTFIZAZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.65
Rot. Bonds9

About 2-cyclopropyl-4-N-(3-methoxypropyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-(3-methoxypropyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80957701) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(3-methoxypropyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(3-methoxypropyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80957701
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-cyclopropyl-4-N-(3-methoxypropyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)CCCOC)nc(C2CC2)n1
InChIInChI=1S/C15H26N4O/c1-4-8-16-13-11-14(19(2)9-5-10-20-3)18-15(17-13)12-6-7-12/h11-12H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyDIABDAJWTFIZAZ-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
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-butyl-2-cyclopropyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80955798
2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80959411
2-cyclopropyl-4-N,4-N-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80955746
2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80967188
2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine
CID 80966841
2-cyclopropyl-4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80958227
2-cyclopropyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80967706
4-N-(2-methoxyethyl)-4-N-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80954731
2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81068249
2-cyclopropyl-4-N-(3-propoxypropyl)-6-N-propylpyrimidine-4,6-diamine
CID 82941617
6-N-ethyl-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4,6-triamine
CID 80823224
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]propanenitrile
CID 80956049

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(3-methoxypropyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(3-methoxypropyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80957701) is 2-cyclopropyl-4-N-(3-methoxypropyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(3-methoxypropyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(3-methoxypropyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N(C)CCCOC)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-(3-methoxypropyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is DIABDAJWTFIZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-8-16-13-11-14(19(2)9-5-10-20-3)18-15(17-13)12-6-7-12/h11-12H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-4-N-(3-methoxypropyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(3-methoxypropyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(3-methoxypropyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80957701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).