(2S)-2-[[4-[6-[[2-ethyl-3-(2-methoxyphenyl)butyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol

C25H33N5O2 — CID 134288956

IUPAC(2S)-2-[[4-[6-[[2-ethyl-3-(2-methoxyphenyl)butyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol
SMILESCCC(CNc1cc(-c2ccnc(N[C@@H](C)CO)c2)ncn1)C(C)c1ccccc1OC
InChIInChI=1S/C25H33N5O2/c1-5-19(18(3)21-8-6-7-9-23(21)32-4)14-27-24-13-22(28-16-29-24)20-10-11-26-25(12-20)30-17(2)15-31/h6-13,16-19,31H,5,14-15H2,1-4H3,(H,26,30)(H,27,28,29)/t17-,18?,19?/m0/s1
InChIKeyOZRRUVRJFXIIIA-VIQWUECVSA-N
MW435.57 g/mol
LogP4.58
Rot. Bonds11

About (2S)-2-[[4-[6-[[2-ethyl-3-(2-methoxyphenyl)butyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol

(2S)-2-[[4-[6-[[2-ethyl-3-(2-methoxyphenyl)butyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol (PubChem CID 134288956) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is (2S)-2-[[4-[6-[[2-ethyl-3-(2-methoxyphenyl)butyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[4-[6-[[2-ethyl-3-(2-methoxyphenyl)butyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol
PubChem CID134288956
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name(2S)-2-[[4-[6-[[2-ethyl-3-(2-methoxyphenyl)butyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol
SMILESCCC(CNc1cc(-c2ccnc(N[C@@H](C)CO)c2)ncn1)C(C)c1ccccc1OC
InChIInChI=1S/C25H33N5O2/c1-5-19(18(3)21-8-6-7-9-23(21)32-4)14-27-24-13-22(28-16-29-24)20-10-11-26-25(12-20)30-17(2)15-31/h6-13,16-19,31H,5,14-15H2,1-4H3,(H,26,30)(H,27,28,29)/t17-,18?,19?/m0/s1
InChIKeyOZRRUVRJFXIIIA-VIQWUECVSA-N
XLogP4.58
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[[4-[6-[[2-ethyl-3-(2-methoxyphenyl)butyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

6-(2-fluoro-4-pyridinyl)-N-[3-(2-methoxyphenyl)-2-methylbutyl]pyrimidin-4-amine
CID 123594938
2-[[4-[6-[[3-(2-methoxyphenyl)-2,2-dimethylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]ethanol
CID 144832012
N'-[4-[6-[[(2S)-2-(2-methoxyphenyl)propyl]amino]pyrimidin-4-yl]-2-pyridinyl]-N-methylethane-1,2-diamine
CID 118983343
6-(2-fluoro-4-pyridinyl)-N-[(2S)-2-(2-methoxyphenyl)propyl]pyrimidin-4-amine
CID 73213572
3-[[5-[6-[[3-(2-methoxyphenyl)-2-methylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propane-1,2-diol
CID 123446986
2-[[5-[6-[2-(2-methoxyphenyl)propylamino]pyrimidin-4-yl]-2-pyridinyl]amino]propane-1,3-diol
CID 123881772
N-[2-(2-methoxyphenyl)propyl]-6-[2-(5-methyl-1,2,4-triazol-1-yl)-4-pyridinyl]pyrimidin-4-amine
CID 123375678
N-[(2R)-butan-2-yl]-6-phenylpyrimidin-4-amine
CID 1235439
2-[[5-[6-[[3-(2-methoxyphenyl)-2-methylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]acetonitrile
CID 123442941
1-[[[5-[6-[[(3R)-3-(2-methoxyphenyl)-2-methylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]methyl]cyclopropan-1-ol
CID 134289238
N-[2-(2-methoxyphenyl)ethyl]-6-[2-(2H-tetrazol-5-ylamino)-4-pyridinyl]pyrimidin-4-amine
CID 123137691
N'-[5-[6-[[(2S)-2-(2-methoxyphenyl)propyl]amino]pyrimidin-4-yl]-3-pyridinyl]-N-methylethane-1,2-diamine
CID 121440702

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-[6-[[2-ethyl-3-(2-methoxyphenyl)butyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of (2S)-2-[[4-[6-[[2-ethyl-3-(2-methoxyphenyl)butyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol (CID 134288956) is (2S)-2-[[4-[6-[[2-ethyl-3-(2-methoxyphenyl)butyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[[4-[6-[[2-ethyl-3-(2-methoxyphenyl)butyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for (2S)-2-[[4-[6-[[2-ethyl-3-(2-methoxyphenyl)butyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol is CCC(CNc1cc(-c2ccnc(N[C@@H](C)CO)c2)ncn1)C(C)c1ccccc1OC.
What is the InChIKey of (2S)-2-[[4-[6-[[2-ethyl-3-(2-methoxyphenyl)butyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol?
The InChIKey is OZRRUVRJFXIIIA-VIQWUECVSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-5-19(18(3)21-8-6-7-9-23(21)32-4)14-27-24-13-22(28-16-29-24)20-10-11-26-25(12-20)30-17(2)15-31/h6-13,16-19,31H,5,14-15H2,1-4H3,(H,26,30)(H,27,28,29)/t17-,18?,19?/m0/s1.
What are the key properties of (2S)-2-[[4-[6-[[2-ethyl-3-(2-methoxyphenyl)butyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol?
(2S)-2-[[4-[6-[[2-ethyl-3-(2-methoxyphenyl)butyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol has a molecular weight of 435.57 g/mol, XLogP of 4.58, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-[6-[[2-ethyl-3-(2-methoxyphenyl)butyl]amino]pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 134288956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).