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

C12H20N4O — CID 80798901

IUPAC4-N-ethyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCN(CC1CCCO1)c1cc(NC)ncn1
InChIInChI=1S/C12H20N4O/c1-3-16(8-10-5-4-6-17-10)12-7-11(13-2)14-9-15-12/h7,9-10H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyOUFUAVJQMIXIEG-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.52
Rot. Bonds5

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

4-N-ethyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80798901) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-N-ethyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80798901
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-N-ethyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCN(CC1CCCO1)c1cc(NC)ncn1
InChIInChI=1S/C12H20N4O/c1-3-16(8-10-5-4-6-17-10)12-7-11(13-2)14-9-15-12/h7,9-10H,3-6,8H2,1-2H3,(H,13,14,15)
InChIKeyOUFUAVJQMIXIEG-UHFFFAOYSA-N
XLogP1.52
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80947627
2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 61435511
5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282728
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
CID 62157823
4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112857277
N-ethyl-2,6-difluoro-4-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline
CID 63076269
N,N-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 95046435
4-N-ethyl-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80800047
5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 114919337
3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 114836813
3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61435099
2-[ethyl-[6-(methylamino)pyrimidin-4-yl]amino]-N-methylacetamide
CID 80809279

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine (CID 80798901) is 4-N-ethyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine is CCN(CC1CCCO1)c1cc(NC)ncn1.
What is the InChIKey of 4-N-ethyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is OUFUAVJQMIXIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-16(8-10-5-4-6-17-10)12-7-11(13-2)14-9-15-12/h7,9-10H,3-6,8H2,1-2H3,(H,13,14,15).
What are the key properties of 4-N-ethyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
4-N-ethyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80798901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).