2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-1-pyridin-3-ylethanol

C19H21N5O — CID 163317563

IUPAC2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-1-pyridin-3-ylethanol
SMILESCN(C)c1ccc(-c2ccnc(NCC(O)c3cccnc3)n2)cc1
InChIInChI=1S/C19H21N5O/c1-24(2)16-7-5-14(6-8-16)17-9-11-21-19(23-17)22-13-18(25)15-4-3-10-20-12-15/h3-12,18,25H,13H2,1-2H3,(H,21,22,23)
InChIKeyWHRIIDNNPDIZKZ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.75
Rot. Bonds6

About 2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-1-pyridin-3-ylethanol

2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-1-pyridin-3-ylethanol (PubChem CID 163317563) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-1-pyridin-3-ylethanol
PubChem CID163317563
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-1-pyridin-3-ylethanol
SMILESCN(C)c1ccc(-c2ccnc(NCC(O)c3cccnc3)n2)cc1
InChIInChI=1S/C19H21N5O/c1-24(2)16-7-5-14(6-8-16)17-9-11-21-19(23-17)22-13-18(25)15-4-3-10-20-12-15/h3-12,18,25H,13H2,1-2H3,(H,21,22,23)
InChIKeyWHRIIDNNPDIZKZ-UHFFFAOYSA-N
XLogP2.75
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]ethyl]acetamide
CID 162626179
2-[[6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
CID 70963300
(S)-[4-(dimethylamino)phenyl]-pyridin-3-ylmethanol
CID 129369618
(1S)-2-(methylamino)-1-pyridin-3-ylethanol
CID 10171254
4-[4-(dimethylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 162625969
2-(2-methylanilino)-1-pyridin-3-ylethanol
CID 82040364
N-[4-(dimethylamino)phenyl]-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 25212381
2-N-[2-(dimethylamino)-2-pyridin-3-ylethyl]-4-N-methyl-4-N-(2-phenylpyrimidin-4-yl)pyrimidine-2,4-diamine
CID 58617470
(2-hydroxy-2-pyridin-3-ylethyl)carbamic acid
CID 21105805
4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 162627933
3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]-1-phenylpropan-1-ol
CID 72845904
N-methyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 143947974

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-1-pyridin-3-ylethanol?
The IUPAC name of 2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-1-pyridin-3-ylethanol (CID 163317563) is 2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-1-pyridin-3-ylethanol?
The canonical SMILES for 2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-1-pyridin-3-ylethanol is CN(C)c1ccc(-c2ccnc(NCC(O)c3cccnc3)n2)cc1.
What is the InChIKey of 2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-1-pyridin-3-ylethanol?
The InChIKey is WHRIIDNNPDIZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-24(2)16-7-5-14(6-8-16)17-9-11-21-19(23-17)22-13-18(25)15-4-3-10-20-12-15/h3-12,18,25H,13H2,1-2H3,(H,21,22,23).
What are the key properties of 2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-1-pyridin-3-ylethanol?
2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-1-pyridin-3-ylethanol has a molecular weight of 335.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-1-pyridin-3-ylethanol is sourced from PubChem (CID 163317563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).