6-N-ethyl-2-methyl-4-N-(3-methyloxolan-3-yl)pyrimidine-4,6-diamine

C12H20N4O — CID 113482400

IUPAC6-N-ethyl-2-methyl-4-N-(3-methyloxolan-3-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC2(C)CCOC2)nc(C)n1
InChIInChI=1S/C12H20N4O/c1-4-13-10-7-11(15-9(2)14-10)16-12(3)5-6-17-8-12/h7H,4-6,8H2,1-3H3,(H2,13,14,15,16)
InChIKeyYJKBBWDTIXDQRC-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.81
Rot. Bonds4

About 6-N-ethyl-2-methyl-4-N-(3-methyloxolan-3-yl)pyrimidine-4,6-diamine

6-N-ethyl-2-methyl-4-N-(3-methyloxolan-3-yl)pyrimidine-4,6-diamine (PubChem CID 113482400) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-N-ethyl-2-methyl-4-N-(3-methyloxolan-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-methyl-4-N-(3-methyloxolan-3-yl)pyrimidine-4,6-diamine
PubChem CID113482400
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-N-ethyl-2-methyl-4-N-(3-methyloxolan-3-yl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC2(C)CCOC2)nc(C)n1
InChIInChI=1S/C12H20N4O/c1-4-13-10-7-11(15-9(2)14-10)16-12(3)5-6-17-8-12/h7H,4-6,8H2,1-3H3,(H2,13,14,15,16)
InChIKeyYJKBBWDTIXDQRC-UHFFFAOYSA-N
XLogP1.81
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-4-N-(4-methyloxan-4-yl)pyrimidine-2,4,6-triamine
CID 113491377
6-chloro-2-methyl-N-(3-methyloxan-3-yl)pyrimidin-4-amine
CID 103895836
[4-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]oxan-4-yl]methanol
CID 106301218
6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 113486283
2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine
CID 114071266
6-(3,3-dimethylmorpholin-4-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 80796158
[4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 114170393
6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 104767328
2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80657269
[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106300524
2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718695
2-cyclopropyl-6-N-ethyl-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,6-diamine
CID 104767445

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-methyl-4-N-(3-methyloxolan-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2-methyl-4-N-(3-methyloxolan-3-yl)pyrimidine-4,6-diamine (CID 113482400) is 6-N-ethyl-2-methyl-4-N-(3-methyloxolan-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-methyl-4-N-(3-methyloxolan-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2-methyl-4-N-(3-methyloxolan-3-yl)pyrimidine-4,6-diamine is CCNc1cc(NC2(C)CCOC2)nc(C)n1.
What is the InChIKey of 6-N-ethyl-2-methyl-4-N-(3-methyloxolan-3-yl)pyrimidine-4,6-diamine?
The InChIKey is YJKBBWDTIXDQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-13-10-7-11(15-9(2)14-10)16-12(3)5-6-17-8-12/h7H,4-6,8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 6-N-ethyl-2-methyl-4-N-(3-methyloxolan-3-yl)pyrimidine-4,6-diamine?
6-N-ethyl-2-methyl-4-N-(3-methyloxolan-3-yl)pyrimidine-4,6-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-methyl-4-N-(3-methyloxolan-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 113482400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).