4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-4-N-methylpyrimidine-4,5-diamine

C14H25N5O — CID 105414104

IUPAC4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-4-N-methylpyrimidine-4,5-diamine
SMILESCCOc1ncnc(N(C)CC2(N(C)C)CCC2)c1N
InChIInChI=1S/C14H25N5O/c1-5-20-13-11(15)12(16-10-17-13)19(4)9-14(18(2)3)7-6-8-14/h10H,5-9,15H2,1-4H3
InChIKeyZYNNJTXQWDQEPW-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.38
Rot. Bonds6

About 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-4-N-methylpyrimidine-4,5-diamine

4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-4-N-methylpyrimidine-4,5-diamine (PubChem CID 105414104) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-4-N-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-4-N-methylpyrimidine-4,5-diamine
PubChem CID105414104
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-4-N-methylpyrimidine-4,5-diamine
SMILESCCOc1ncnc(N(C)CC2(N(C)C)CCC2)c1N
InChIInChI=1S/C14H25N5O/c1-5-20-13-11(15)12(16-10-17-13)19(4)9-14(18(2)3)7-6-8-14/h10H,5-9,15H2,1-4H3
InChIKeyZYNNJTXQWDQEPW-UHFFFAOYSA-N
XLogP1.38
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-5-iodo-N-methylpyrimidin-4-amine
CID 105420240
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 105420965
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 105415083
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methoxy-2-N-methylpyridine-2,3-diamine
CID 105414160
5-N-[[1-(dimethylamino)cyclobutyl]methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103365871
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 105420977
4-N-(2-ethoxyethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-4,5-diamine
CID 81058356
4-(aminomethyl)-3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine
CID 107055789
2-[(5-amino-6-ethoxypyrimidin-4-yl)-(2-methoxyethyl)amino]ethanol
CID 113467648
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,5-dimethylpyridine-2,4-diamine
CID 105414019
3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine
CID 102752109
3-[(5-amino-6-propoxypyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106914177

Frequently Asked Questions

What is the IUPAC name of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-4-N-methylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-4-N-methylpyrimidine-4,5-diamine (CID 105414104) is 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-4-N-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-4-N-methylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-4-N-methylpyrimidine-4,5-diamine is CCOc1ncnc(N(C)CC2(N(C)C)CCC2)c1N.
What is the InChIKey of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-4-N-methylpyrimidine-4,5-diamine?
The InChIKey is ZYNNJTXQWDQEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-5-20-13-11(15)12(16-10-17-13)19(4)9-14(18(2)3)7-6-8-14/h10H,5-9,15H2,1-4H3.
What are the key properties of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-4-N-methylpyrimidine-4,5-diamine?
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-4-N-methylpyrimidine-4,5-diamine has a molecular weight of 279.39 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-ethoxy-4-N-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 105414104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).