6-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-propylpyrimidine-4,6-diamine

C16H28N4O — CID 80991523

IUPAC6-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)c(C)c(NCC2(C)CCCO2)n1
InChIInChI=1S/C16H28N4O/c1-5-8-13-19-14(17-6-2)12(3)15(20-13)18-11-16(4)9-7-10-21-16/h5-11H2,1-4H3,(H2,17,18,19,20)
InChIKeyREQMILLJNCUPMD-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.15
Rot. Bonds7

About 6-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-propylpyrimidine-4,6-diamine

6-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-propylpyrimidine-4,6-diamine (PubChem CID 80991523) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 6-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
PubChem CID80991523
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name6-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)c(C)c(NCC2(C)CCCO2)n1
InChIInChI=1S/C16H28N4O/c1-5-8-13-19-14(17-6-2)12(3)15(20-13)18-11-16(4)9-7-10-21-16/h5-11H2,1-4H3,(H2,17,18,19,20)
InChIKeyREQMILLJNCUPMD-UHFFFAOYSA-N
XLogP3.15
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80992035
2-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine
CID 80854891
3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198617
4-N-(2-cyclopropylethyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80992927
2-hydrazinyl-5-methyl-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine
CID 80928984
4-[[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 81130653
6-chloro-2-N-[(2-methyloxolan-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80855459
6-N-[(2-methyloxolan-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80854388
6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol
CID 107855275
6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine
CID 80987408
5-bromo-2-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]pyrimidine-2,4-diamine
CID 80854676
3-N-[(2-methyloxolan-2-yl)methyl]quinoxaline-2,3-diamine
CID 102984701

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-propylpyrimidine-4,6-diamine (CID 80991523) is 6-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-propylpyrimidine-4,6-diamine is CCCc1nc(NCC)c(C)c(NCC2(C)CCCO2)n1.
What is the InChIKey of 6-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-propylpyrimidine-4,6-diamine?
The InChIKey is REQMILLJNCUPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-8-13-19-14(17-6-2)12(3)15(20-13)18-11-16(4)9-7-10-21-16/h5-11H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 6-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-propylpyrimidine-4,6-diamine?
6-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-propylpyrimidine-4,6-diamine has a molecular weight of 292.43 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80991523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).