3-[[4-[[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]amino]-6-methylpyrimidin-2-yl]amino]phenol

C18H25N5O2 — CID 133122396

IUPAC3-[[4-[[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]amino]-6-methylpyrimidin-2-yl]amino]phenol
SMILESCCO[C@@H]1CN(C)C[C@H]1Nc1cc(C)nc(Nc2cccc(O)c2)n1
InChIInChI=1S/C18H25N5O2/c1-4-25-16-11-23(3)10-15(16)21-17-8-12(2)19-18(22-17)20-13-6-5-7-14(24)9-13/h5-9,15-16,24H,4,10-11H2,1-3H3,(H2,19,20,21,22)/t15-,16-/m1/s1
InChIKeyKIOSYFZCGLOXEL-HZPDHXFCSA-N
MW343.43 g/mol
LogP2.37
Rot. Bonds6

About 3-[[4-[[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]amino]-6-methylpyrimidin-2-yl]amino]phenol

3-[[4-[[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]amino]-6-methylpyrimidin-2-yl]amino]phenol (PubChem CID 133122396) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[[4-[[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]amino]-6-methylpyrimidin-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[4-[[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]amino]-6-methylpyrimidin-2-yl]amino]phenol
PubChem CID133122396
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name3-[[4-[[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]amino]-6-methylpyrimidin-2-yl]amino]phenol
SMILESCCO[C@@H]1CN(C)C[C@H]1Nc1cc(C)nc(Nc2cccc(O)c2)n1
InChIInChI=1S/C18H25N5O2/c1-4-25-16-11-23(3)10-15(16)21-17-8-12(2)19-18(22-17)20-13-6-5-7-14(24)9-13/h5-9,15-16,24H,4,10-11H2,1-3H3,(H2,19,20,21,22)/t15-,16-/m1/s1
InChIKeyKIOSYFZCGLOXEL-HZPDHXFCSA-N
XLogP2.37
TPSA82.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[4-[[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]amino]-6-methylpyrimidin-2-yl]amino]phenol with MolForge

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Related Compounds

4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 83718542
2-N-(3-methoxyphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925190
N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 131926128
N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]quinoxaline-2-carboxamide
CID 133266039
(2-methylcyclopropyl) 3-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]benzoate
CID 138562095
N-[3-[[2-(3-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931499
N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 133266460
3-[[4-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethylamino)-6-methylpyrimidin-2-yl]amino]phenol
CID 72909448
ethyl 4-[[4-(3-fluoroanilino)-6-methylpyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112923261
3-[[4-methyl-6-[3-(methylamino)anilino]-1,3,5-triazin-2-yl]amino]phenol
CID 123576120
1-[3-[[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112910457
2-N-(3,4-dichlorophenyl)-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930806

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]amino]-6-methylpyrimidin-2-yl]amino]phenol?
The IUPAC name of 3-[[4-[[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]amino]-6-methylpyrimidin-2-yl]amino]phenol (CID 133122396) is 3-[[4-[[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]amino]-6-methylpyrimidin-2-yl]amino]phenol.
What is the SMILES notation for 3-[[4-[[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]amino]-6-methylpyrimidin-2-yl]amino]phenol?
The canonical SMILES for 3-[[4-[[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]amino]-6-methylpyrimidin-2-yl]amino]phenol is CCO[C@@H]1CN(C)C[C@H]1Nc1cc(C)nc(Nc2cccc(O)c2)n1.
What is the InChIKey of 3-[[4-[[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]amino]-6-methylpyrimidin-2-yl]amino]phenol?
The InChIKey is KIOSYFZCGLOXEL-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-4-25-16-11-23(3)10-15(16)21-17-8-12(2)19-18(22-17)20-13-6-5-7-14(24)9-13/h5-9,15-16,24H,4,10-11H2,1-3H3,(H2,19,20,21,22)/t15-,16-/m1/s1.
What are the key properties of 3-[[4-[[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]amino]-6-methylpyrimidin-2-yl]amino]phenol?
3-[[4-[[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]amino]-6-methylpyrimidin-2-yl]amino]phenol has a molecular weight of 343.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]amino]-6-methylpyrimidin-2-yl]amino]phenol is sourced from PubChem (CID 133122396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).