4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-propylpyrimidine-2,4-diamine

C14H25N5 — CID 105420883

IUPAC4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NCC2(N(C)C)CCC2)n1
InChIInChI=1S/C14H25N5/c1-4-9-15-13-16-10-6-12(18-13)17-11-14(19(2)3)7-5-8-14/h6,10H,4-5,7-9,11H2,1-3H3,(H2,15,16,17,18)
InChIKeyXZHDNXDFFFSCLW-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.19
Rot. Bonds7

About 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-propylpyrimidine-2,4-diamine

4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 105420883) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID105420883
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NCC2(N(C)C)CCC2)n1
InChIInChI=1S/C14H25N5/c1-4-9-15-13-16-10-6-12(18-13)17-11-14(19(2)3)7-5-8-14/h6,10H,4-5,7-9,11H2,1-3H3,(H2,15,16,17,18)
InChIKeyXZHDNXDFFFSCLW-UHFFFAOYSA-N
XLogP2.19
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-propylpyrimidine-2,4-diamine (CID 105420883) is 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(NCC2(N(C)C)CCC2)n1.
What is the InChIKey of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is XZHDNXDFFFSCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-4-9-15-13-16-10-6-12(18-13)17-11-14(19(2)3)7-5-8-14/h6,10H,4-5,7-9,11H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-propylpyrimidine-2,4-diamine?
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 263.39 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 105420883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).