2-N-[4-methoxy-3-[3-(methylamino)cyclobutyl]oxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine

C18H25N5O2 — CID 145385464

IUPAC2-N-[4-methoxy-3-[3-(methylamino)cyclobutyl]oxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc(C)nc(Nc2ccc(OC)c(OC3CC(NC)C3)c2)n1
InChIInChI=1S/C18H25N5O2/c1-11-7-17(20-3)23-18(21-11)22-12-5-6-15(24-4)16(10-12)25-14-8-13(9-14)19-2/h5-7,10,13-14,19H,8-9H2,1-4H3,(H2,20,21,22,23)
InChIKeyKXJTUZGYNAKWSK-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.71
Rot. Bonds7

About 2-N-[4-methoxy-3-[3-(methylamino)cyclobutyl]oxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine

2-N-[4-methoxy-3-[3-(methylamino)cyclobutyl]oxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 145385464) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-N-[4-methoxy-3-[3-(methylamino)cyclobutyl]oxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-methoxy-3-[3-(methylamino)cyclobutyl]oxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID145385464
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-N-[4-methoxy-3-[3-(methylamino)cyclobutyl]oxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc(C)nc(Nc2ccc(OC)c(OC3CC(NC)C3)c2)n1
InChIInChI=1S/C18H25N5O2/c1-11-7-17(20-3)23-18(21-11)22-12-5-6-15(24-4)16(10-12)25-14-8-13(9-14)19-2/h5-7,10,13-14,19H,8-9H2,1-4H3,(H2,20,21,22,23)
InChIKeyKXJTUZGYNAKWSK-UHFFFAOYSA-N
XLogP2.71
TPSA80.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(3-hydrazinyl-4-methoxyphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 135154230
(1R)-1-(azetidin-1-yl)-1-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenoxy]propan-2-ol
CID 154616323
2-N-[3-[1-(1-ethylazetidin-3-yl)ethoxy]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 158630439
2-N-(3,4-dimethoxyphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927358
2-N-[4-methoxy-3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146397993
2-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 162651371
1-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenoxy]-1-pyrrolidin-1-ylpropan-2-ol
CID 138562035
2-N-[3-[[[(3R)-1-ethylpyrrolidin-3-yl]amino]methyl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146554427
2-N-[4-methoxy-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146339135
2-N-[3-(1H-indazol-4-yl)-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 135154278
2-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918506
2-N-[4-methoxy-3-[5-(methylamino)pentan-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 147318505

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-methoxy-3-[3-(methylamino)cyclobutyl]oxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-methoxy-3-[3-(methylamino)cyclobutyl]oxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine (CID 145385464) is 2-N-[4-methoxy-3-[3-(methylamino)cyclobutyl]oxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-methoxy-3-[3-(methylamino)cyclobutyl]oxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-methoxy-3-[3-(methylamino)cyclobutyl]oxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine is CNc1cc(C)nc(Nc2ccc(OC)c(OC3CC(NC)C3)c2)n1.
What is the InChIKey of 2-N-[4-methoxy-3-[3-(methylamino)cyclobutyl]oxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is KXJTUZGYNAKWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11-7-17(20-3)23-18(21-11)22-12-5-6-15(24-4)16(10-12)25-14-8-13(9-14)19-2/h5-7,10,13-14,19H,8-9H2,1-4H3,(H2,20,21,22,23).
What are the key properties of 2-N-[4-methoxy-3-[3-(methylamino)cyclobutyl]oxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
2-N-[4-methoxy-3-[3-(methylamino)cyclobutyl]oxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 343.43 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-methoxy-3-[3-(methylamino)cyclobutyl]oxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 145385464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).