4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine

C12H20N4O — CID 80808426

IUPAC4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1ncnc(N(CCOC)C2CC2)c1C
InChIInChI=1S/C12H20N4O/c1-9-11(13-2)14-8-15-12(9)16(6-7-17-3)10-4-5-10/h8,10H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyXGXSVXMOPCYMIJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.44
Rot. Bonds6

About 4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine

4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80808426) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80808426
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1ncnc(N(CCOC)C2CC2)c1C
InChIInChI=1S/C12H20N4O/c1-9-11(13-2)14-8-15-12(9)16(6-7-17-3)10-4-5-10/h8,10H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyXGXSVXMOPCYMIJ-UHFFFAOYSA-N
XLogP1.44
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80795868
2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810290
4-N-cyclopentyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80781625
4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80823623
3-[2-methoxyethyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80829439
5-bromo-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-4-amine
CID 66319709
N-cyclopropyl-N-(cyclopropylmethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80917549
4-N,6-N,5-trimethyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81068634
4-N-cyclopropyl-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80774359
4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80808313
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80844060
6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80859076

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80808426) is 4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine is CNc1ncnc(N(CCOC)C2CC2)c1C.
What is the InChIKey of 4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is XGXSVXMOPCYMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-11(13-2)14-8-15-12(9)16(6-7-17-3)10-4-5-10/h8,10H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80808426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).