4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine

C15H27N5 — CID 105420977

IUPAC4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)CC2(N(C)C)CCC2)ncn1
InChIInChI=1S/C15H27N5/c1-5-9-16-13-10-14(18-12-17-13)20(4)11-15(19(2)3)7-6-8-15/h10,12H,5-9,11H2,1-4H3,(H,16,17,18)
InChIKeyABVCEOIHYUTRHD-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.22
Rot. Bonds7

About 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 105420977) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID105420977
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)CC2(N(C)C)CCC2)ncn1
InChIInChI=1S/C15H27N5/c1-5-9-16-13-10-14(18-12-17-13)20(4)11-15(19(2)3)7-6-8-15/h10,12H,5-9,11H2,1-4H3,(H,16,17,18)
InChIKeyABVCEOIHYUTRHD-UHFFFAOYSA-N
XLogP2.22
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.22
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]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine (CID 105420977) is 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N(C)CC2(N(C)C)CCC2)ncn1.
What is the InChIKey of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is ABVCEOIHYUTRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-5-9-16-13-10-14(18-12-17-13)20(4)11-15(19(2)3)7-6-8-15/h10,12H,5-9,11H2,1-4H3,(H,16,17,18).
What are the key properties of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.22, 7 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]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 105420977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).