5-chloro-4-N-(3-methoxy-2,2-dimethylpropyl)-6-methylpyrimidine-2,4-diamine

C11H19ClN4O — CID 122558047

IUPAC5-chloro-4-N-(3-methoxy-2,2-dimethylpropyl)-6-methylpyrimidine-2,4-diamine
SMILESCOCC(C)(C)CNc1nc(N)nc(C)c1Cl
InChIInChI=1S/C11H19ClN4O/c1-7-8(12)9(16-10(13)15-7)14-5-11(2,3)6-17-4/h5-6H2,1-4H3,(H3,13,14,15,16)
InChIKeyBWSKWICYCQVVSU-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.11
Rot. Bonds5

About 5-chloro-4-N-(3-methoxy-2,2-dimethylpropyl)-6-methylpyrimidine-2,4-diamine

5-chloro-4-N-(3-methoxy-2,2-dimethylpropyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 122558047) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 5-chloro-4-N-(3-methoxy-2,2-dimethylpropyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(3-methoxy-2,2-dimethylpropyl)-6-methylpyrimidine-2,4-diamine
PubChem CID122558047
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name5-chloro-4-N-(3-methoxy-2,2-dimethylpropyl)-6-methylpyrimidine-2,4-diamine
SMILESCOCC(C)(C)CNc1nc(N)nc(C)c1Cl
InChIInChI=1S/C11H19ClN4O/c1-7-8(12)9(16-10(13)15-7)14-5-11(2,3)6-17-4/h5-6H2,1-4H3,(H3,13,14,15,16)
InChIKeyBWSKWICYCQVVSU-UHFFFAOYSA-N
XLogP2.11
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-butyl-5-chloro-6-methylpyrimidine-2,4-diamine
CID 135271004
5-chloro-N~4~-[rac-(3S,4R)-4-methoxytetrahydrofuran-3-yl]-6-methylpyrimidine-2,4-diamine
CID 122567356
5-chloro-N~4~-[rac-(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-6-methylpyrimidine-2,4-diamine
CID 122569183
5-chloro-N~4~-{1-[(diethylamino)methyl]cyclopropyl}-6-methylpyrimidine-2,4-diamine formate
CID 124205897
5-chloro-N~4~-[rac-(3S,4R)-4-ethoxytetrahydrofuran-3-yl]-6-methylpyrimidine-2,4-diamine
CID 124215359
5-chloro-4-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-6-methylpyrimidine-2,4-diamine
CID 125443506
3-[[5-Chloro-6-(difluoromethyl)-2-methylpyrimidin-4-yl]amino]propan-1-ol
CID 162513940
5-chloro-6-(difluoromethyl)-4-N-ethylpyrimidine-2,4-diamine
CID 174832872
5-fluoro-2-(2-methoxyethyl)-N,6-dimethylpyrimidin-4-amine
CID 65997787
N-ethyl-5-fluoro-2-(2-methoxyethyl)-6-methylpyrimidin-4-amine
CID 65998399
5-fluoro-2-(2-methoxyethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 65999006
2-(2-ethoxyethyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 106815269

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(3-methoxy-2,2-dimethylpropyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(3-methoxy-2,2-dimethylpropyl)-6-methylpyrimidine-2,4-diamine (CID 122558047) is 5-chloro-4-N-(3-methoxy-2,2-dimethylpropyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(3-methoxy-2,2-dimethylpropyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(3-methoxy-2,2-dimethylpropyl)-6-methylpyrimidine-2,4-diamine is COCC(C)(C)CNc1nc(N)nc(C)c1Cl.
What is the InChIKey of 5-chloro-4-N-(3-methoxy-2,2-dimethylpropyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is BWSKWICYCQVVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-7-8(12)9(16-10(13)15-7)14-5-11(2,3)6-17-4/h5-6H2,1-4H3,(H3,13,14,15,16).
What are the key properties of 5-chloro-4-N-(3-methoxy-2,2-dimethylpropyl)-6-methylpyrimidine-2,4-diamine?
5-chloro-4-N-(3-methoxy-2,2-dimethylpropyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 258.75 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(3-methoxy-2,2-dimethylpropyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 122558047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).