4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine

C14H25N5O — CID 105420936

IUPAC4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCOCc1nc(N)cc(N(C)CC2(N(C)C)CCC2)n1
InChIInChI=1S/C14H25N5O/c1-18(2)14(6-5-7-14)10-19(3)13-8-11(15)16-12(17-13)9-20-4/h8H,5-7,9-10H2,1-4H3,(H2,15,16,17)
InChIKeyVSQISUGBGBKZCI-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.13
Rot. Bonds6

About 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine

4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine (PubChem CID 105420936) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine
PubChem CID105420936
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCOCc1nc(N)cc(N(C)CC2(N(C)C)CCC2)n1
InChIInChI=1S/C14H25N5O/c1-18(2)14(6-5-7-14)10-19(3)13-8-11(15)16-12(17-13)9-20-4/h8H,5-7,9-10H2,1-4H3,(H2,15,16,17)
InChIKeyVSQISUGBGBKZCI-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 105420998
2-[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
CID 102640110
6-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,2-dimethylpyrimidin-4-amine
CID 105419888
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 105421075
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine
CID 105420923
5-N-[[1-(dimethylamino)cyclobutyl]methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103365871
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,5-dimethylpyridine-2,4-diamine
CID 105414019
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine
CID 105420925
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 105421058
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methoxy-2-N-methylpyridine-2,3-diamine
CID 105414160
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methylpyridin-2-amine
CID 105421047
4-(chloromethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-6-propylpyridin-2-amine
CID 105416214

Frequently Asked Questions

What is the IUPAC name of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine (CID 105420936) is 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine is COCc1nc(N)cc(N(C)CC2(N(C)C)CCC2)n1.
What is the InChIKey of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is VSQISUGBGBKZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-18(2)14(6-5-7-14)10-19(3)13-8-11(15)16-12(17-13)9-20-4/h8H,5-7,9-10H2,1-4H3,(H2,15,16,17).
What are the key properties of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine?
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 279.39 g/mol, XLogP of 1.13, 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]-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 105420936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).