2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine

C15H27N5 — CID 80966841

IUPAC2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCCN(C)C)nc(C2CC2)n1
InChIInChI=1S/C15H27N5/c1-4-8-16-13-11-14(17-9-5-10-20(2)3)19-15(18-13)12-6-7-12/h11-12H,4-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyAKJQSSAMNBOHCF-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.54
Rot. Bonds9

About 2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80966841) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID80966841
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCCN(C)C)nc(C2CC2)n1
InChIInChI=1S/C15H27N5/c1-4-8-16-13-11-14(17-9-5-10-20(2)3)19-15(18-13)12-6-7-12/h11-12H,4-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyAKJQSSAMNBOHCF-UHFFFAOYSA-N
XLogP2.54
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.54
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

2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80959411
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953399
N-(2-cyclopropyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456457
N-(2-cyclopropyl-6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456372
2-cyclopropyl-4-N-(3-propoxypropyl)-6-N-propylpyrimidine-4,6-diamine
CID 82941617
4-N-butyl-2-cyclopropyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80955798
2-cyclopropyl-4-N,4-N-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80955746
N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 80968725
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine
CID 80968524
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80948311
2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80959196

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine (CID 80966841) is 2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCCCN(C)C)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is AKJQSSAMNBOHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-4-8-16-13-11-14(17-9-5-10-20(2)3)19-15(18-13)12-6-7-12/h11-12H,4-10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80966841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).