4-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine

C13H24N4O — CID 164637804

IUPAC4-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCOC(C)(C)C[C@H](C)Nc1ccnc(N(C)C)n1
InChIInChI=1S/C13H24N4O/c1-10(9-13(2,3)18-6)15-11-7-8-14-12(16-11)17(4)5/h7-8,10H,9H2,1-6H3,(H,14,15,16)/t10-/m0/s1
InChIKeyJZRBGHSTSUCYMS-JTQLQIEISA-N
MW252.36 g/mol
LogP2.16
Rot. Bonds6

About 4-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine

4-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 164637804) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID164637804
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCOC(C)(C)C[C@H](C)Nc1ccnc(N(C)C)n1
InChIInChI=1S/C13H24N4O/c1-10(9-13(2,3)18-6)15-11-7-8-14-12(16-11)17(4)5/h7-8,10H,9H2,1-6H3,(H,14,15,16)/t10-/m0/s1
InChIKeyJZRBGHSTSUCYMS-JTQLQIEISA-N
XLogP2.16
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 164637804) is 4-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine is COC(C)(C)C[C@H](C)Nc1ccnc(N(C)C)n1.
What is the InChIKey of 4-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is JZRBGHSTSUCYMS-JTQLQIEISA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(9-13(2,3)18-6)15-11-7-8-14-12(16-11)17(4)5/h7-8,10H,9H2,1-6H3,(H,14,15,16)/t10-/m0/s1.
What are the key properties of 4-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
4-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2S)-4-methoxy-4-methylpentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 164637804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).