4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine

C16H29N5 — CID 105420985

IUPAC4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(N(C)CC2(N(C)C)CCC2)c1C
InChIInChI=1S/C16H29N5/c1-7-17-14-12(2)15(19-13(3)18-14)21(6)11-16(20(4)5)9-8-10-16/h7-11H2,1-6H3,(H,17,18,19)
InChIKeyGPZJQDIDACWOGB-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.45
Rot. Bonds6

About 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine

4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine (PubChem CID 105420985) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
PubChem CID105420985
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(N(C)CC2(N(C)C)CCC2)c1C
InChIInChI=1S/C16H29N5/c1-7-17-14-12(2)15(19-13(3)18-14)21(6)11-16(20(4)5)9-8-10-16/h7-11H2,1-6H3,(H,17,18,19)
InChIKeyGPZJQDIDACWOGB-UHFFFAOYSA-N
XLogP2.45
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine (CID 105420985) is 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine is CCNc1nc(C)nc(N(C)CC2(N(C)C)CCC2)c1C.
What is the InChIKey of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is GPZJQDIDACWOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-7-17-14-12(2)15(19-13(3)18-14)21(6)11-16(20(4)5)9-8-10-16/h7-11H2,1-6H3,(H,17,18,19).
What are the key properties of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine?
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 105420985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).