4-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-2,4-diamine

C14H16N4O — CID 80860093

IUPAC4-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-2,4-diamine
SMILESC/C=C/c1ccccc1Oc1cc(NC)nc(N)n1
InChIInChI=1S/C14H16N4O/c1-3-6-10-7-4-5-8-11(10)19-13-9-12(16-2)17-14(15)18-13/h3-9H,1-2H3,(H3,15,16,17,18)/b6-3+
InChIKeyUPJKKULTQUNACA-ZZXKWVIFSA-N
MW256.31 g/mol
LogP2.93
Rot. Bonds4

About 4-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-2,4-diamine

4-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-2,4-diamine (PubChem CID 80860093) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-2,4-diamine
PubChem CID80860093
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-2,4-diamine
SMILESC/C=C/c1ccccc1Oc1cc(NC)nc(N)n1
InChIInChI=1S/C14H16N4O/c1-3-6-10-7-4-5-8-11(10)19-13-9-12(16-2)17-14(15)18-13/h3-9H,1-2H3,(H3,15,16,17,18)/b6-3+
InChIKeyUPJKKULTQUNACA-ZZXKWVIFSA-N
XLogP2.93
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine
CID 80957766
N-methyl-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-amine
CID 80860701
6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine
CID 80860267
2-[2-amino-6-(methylamino)pyrimidin-4-yl]oxy-6-fluorobenzonitrile
CID 80874760
2-chloro-4-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine
CID 55080893
6-(2,4-dibromophenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 80878001
2-chloro-4-(2-prop-1-enylphenoxy)pyrimidine
CID 76940175
4-hydrazinyl-6-naphthalen-1-yloxypyrimidin-2-amine
CID 80916183
6-(4-ethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 80864272
6-(2-ethoxyphenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80867130
N-[[6-(2-prop-1-enylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 76938437
6-(4-bromo-3,5-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 107727385

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-2,4-diamine (CID 80860093) is 4-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-2,4-diamine is C/C=C/c1ccccc1Oc1cc(NC)nc(N)n1.
What is the InChIKey of 4-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-2,4-diamine?
The InChIKey is UPJKKULTQUNACA-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H16N4O/c1-3-6-10-7-4-5-8-11(10)19-13-9-12(16-2)17-14(15)18-13/h3-9H,1-2H3,(H3,15,16,17,18)/b6-3+.
What are the key properties of 4-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-2,4-diamine?
4-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-2,4-diamine has a molecular weight of 256.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 80860093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).