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

C16H29N5 — CID 105420855

IUPAC4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC2(N(C)C)CCC2)nc(CC)n1
InChIInChI=1S/C16H29N5/c1-5-10-17-14-11-15(20-13(6-2)19-14)18-12-16(21(3)4)8-7-9-16/h11H,5-10,12H2,1-4H3,(H2,17,18,19,20)
InChIKeyBQTBCMKELSNJDY-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.76
Rot. Bonds8

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

4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 105420855) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID105420855
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC2(N(C)C)CCC2)nc(CC)n1
InChIInChI=1S/C16H29N5/c1-5-10-17-14-11-15(20-13(6-2)19-14)18-12-16(21(3)4)8-7-9-16/h11H,5-10,12H2,1-4H3,(H2,17,18,19,20)
InChIKeyBQTBCMKELSNJDY-UHFFFAOYSA-N
XLogP2.76
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80941777
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-propylpyrimidine-2,4-diamine
CID 105420883
2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80934686
4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933194
4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80940937
4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933862
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 105421023
4-N-(2,2-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80938291
4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939676
2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80935134
2-ethyl-4-N-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80933924
4-N-(3,3-dimethylcyclopentyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 114542211

Frequently Asked Questions

What is the IUPAC name of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine (CID 105420855) is 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCC2(N(C)C)CCC2)nc(CC)n1.
What is the InChIKey of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is BQTBCMKELSNJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-5-10-17-14-11-15(20-13(6-2)19-14)18-12-16(21(3)4)8-7-9-16/h11H,5-10,12H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.76, 8 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-ethyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 105420855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).