4-[4,6-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol

C17H23N3O — CID 136889475

IUPAC4-[4,6-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol
SMILESCc1nc(-c2ccc(O)cc2)nc(C)c1CNCC(C)C
InChIInChI=1S/C17H23N3O/c1-11(2)9-18-10-16-12(3)19-17(20-13(16)4)14-5-7-15(21)8-6-14/h5-8,11,18,21H,9-10H2,1-4H3
InChIKeyLHWFXWSLRACYBE-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.21
Rot. Bonds5

About 4-[4,6-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol

4-[4,6-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol (PubChem CID 136889475) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[4,6-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[4,6-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol
PubChem CID136889475
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-[4,6-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol
SMILESCc1nc(-c2ccc(O)cc2)nc(C)c1CNCC(C)C
InChIInChI=1S/C17H23N3O/c1-11(2)9-18-10-16-12(3)19-17(20-13(16)4)14-5-7-15(21)8-6-14/h5-8,11,18,21H,9-10H2,1-4H3
InChIKeyLHWFXWSLRACYBE-UHFFFAOYSA-N
XLogP3.21
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Phenol, 4-((4-cyclopropyl-6-methyl-2-pyrimidinyl)amino)-
CID 85745672
3-[(4-Cyclopropyl-6-methyl-2-pyrimidinyl)amino]phenol
CID 85971930
2-[4-(4-Fluoro-phenylamino)-6-methyl-pyrimidin-2-yl]-phenol
CID 719248
4-[6-(4-Hydroxyphenyl)-2-phenylpyrimidin-4-yl]phenol
CID 789621
6-(4-Methoxyphenyl)-N~4~-Octylpyrimidine-2,4-Diamine
CID 75815438
2-[4-(2-Fluoro-phenylamino)-6-methyl-pyrimidin-2-yl]-phenol
CID 719253
4-Methyl-2-[[(6-methylpyridin-2-yl)amino]methyl]phenol
CID 890931
4-[4-(4-Fluorophenyl)-2-pyrimidinyl]benzenol
CID 1479911
1-(4-Hydroxyphenyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 135458773
4-(5-Allyl-6-methyl-2-phenyl-pyrimidin-4-ylamino)-phenol
CID 766801
2-cyclopentyl-4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 16062783
2-[2-Methoxy-6-[[2-(4-methoxyphenyl)ethyl]amino]-4-pyrimidinyl]phenol
CID 135509970

Frequently Asked Questions

What is the IUPAC name of 4-[4,6-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol?
The IUPAC name of 4-[4,6-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol (CID 136889475) is 4-[4,6-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[4,6-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol?
The canonical SMILES for 4-[4,6-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol is Cc1nc(-c2ccc(O)cc2)nc(C)c1CNCC(C)C.
What is the InChIKey of 4-[4,6-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol?
The InChIKey is LHWFXWSLRACYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11(2)9-18-10-16-12(3)19-17(20-13(16)4)14-5-7-15(21)8-6-14/h5-8,11,18,21H,9-10H2,1-4H3.
What are the key properties of 4-[4,6-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol?
4-[4,6-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol has a molecular weight of 285.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]phenol is sourced from PubChem (CID 136889475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).