4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

C12H20N4O — CID 80800047

IUPAC4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCN(CC1CCCO1)c1cc(N)nc(C)n1
InChIInChI=1S/C12H20N4O/c1-3-16(8-10-5-4-6-17-10)12-7-11(13)14-9(2)15-12/h7,10H,3-6,8H2,1-2H3,(H2,13,14,15)
InChIKeyLCWLASGJPUMQIJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.37
Rot. Bonds4

About 4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80800047) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80800047
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCN(CC1CCCO1)c1cc(N)nc(C)n1
InChIInChI=1S/C12H20N4O/c1-3-16(8-10-5-4-6-17-10)12-7-11(13)14-9(2)15-12/h7,10H,3-6,8H2,1-2H3,(H2,13,14,15)
InChIKeyLCWLASGJPUMQIJ-UHFFFAOYSA-N
XLogP1.37
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-aminoethyl)-N-ethyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 95207222
6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine
CID 80646622
N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80947627
4-N-ethyl-2-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80775488
6-chloro-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 94431568
4-N,2-diethyl-5-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80987253
2-N-ethyl-2-N-(oxolan-2-ylmethyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 61433721
2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 61435511
3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine
CID 104540056
2-N-ethyl-6-methoxy-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80799814
1-N-ethyl-2-iodo-1-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 66094780
2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 79075350

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine (CID 80800047) is 4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine is CCN(CC1CCCO1)c1cc(N)nc(C)n1.
What is the InChIKey of 4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is LCWLASGJPUMQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-16(8-10-5-4-6-17-10)12-7-11(13)14-9(2)15-12/h7,10H,3-6,8H2,1-2H3,(H2,13,14,15).
What are the key properties of 4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80800047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).