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

C16H29N5 — CID 80959411

IUPAC2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)CCCN(C)C)nc(C2CC2)n1
InChIInChI=1S/C16H29N5/c1-5-9-17-14-12-15(19-16(18-14)13-7-8-13)21(4)11-6-10-20(2)3/h12-13H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyDYQJXSYYQBFGPR-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.56
Rot. Bonds9

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

2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80959411) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80959411
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)CCCN(C)C)nc(C2CC2)n1
InChIInChI=1S/C16H29N5/c1-5-9-17-14-12-15(19-16(18-14)13-7-8-13)21(4)11-6-10-20(2)3/h12-13H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyDYQJXSYYQBFGPR-UHFFFAOYSA-N
XLogP2.56
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methoxypropyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80957701
2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-6-N-propylpyrimidine-4,6-diamine
CID 80966841
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-[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
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953399
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]propanenitrile
CID 80956049
N-(2-cyclopropyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456457
4-N-butyl-6-N-[3-(dimethylamino)propyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112870573
4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 107403149

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80959411) is 2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N(C)CCCN(C)C)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is DYQJXSYYQBFGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-5-9-17-14-12-15(19-16(18-14)13-7-8-13)21(4)11-6-10-20(2)3/h12-13H,5-11H2,1-4H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-[3-(dimethylamino)propyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.56, 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-(dimethylamino)propyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80959411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).