2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1-phenylethanol

C21H24N6O2 — CID 71177798

IUPAC2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1-phenylethanol
SMILESNc1ccc(-c2cc(NCC(O)c3ccccc3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H24N6O2/c22-19-7-6-16(13-23-19)17-12-20(24-14-18(28)15-4-2-1-3-5-15)26-21(25-17)27-8-10-29-11-9-27/h1-7,12-13,18,28H,8-11,14H2,(H2,22,23)(H,24,25,26)
InChIKeyJBHRRVALKPDTBA-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.10
Rot. Bonds6

About 2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1-phenylethanol

2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1-phenylethanol (PubChem CID 71177798) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1-phenylethanol
PubChem CID71177798
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1-phenylethanol
SMILESNc1ccc(-c2cc(NCC(O)c3ccccc3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C21H24N6O2/c22-19-7-6-16(13-23-19)17-12-20(24-14-18(28)15-4-2-1-3-5-15)26-21(25-17)27-8-10-29-11-9-27/h1-7,12-13,18,28H,8-11,14H2,(H2,22,23)(H,24,25,26)
InChIKeyJBHRRVALKPDTBA-UHFFFAOYSA-N
XLogP2.10
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[6-(6-fluoro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine
CID 59507831
2-[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;chloromethane
CID 145100338
6-(6-amino-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507630
N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935485
6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507565
6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507868
2-[[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylacetamide
CID 42613361
6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine
CID 71177854
5-[2-morpholin-4-yl-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]pyridin-2-amine
CID 59507463
6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507502
2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112935500
5-(2-morpholin-4-ylpyrimidin-5-yl)pyridin-2-amine
CID 122622421

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1-phenylethanol?
The IUPAC name of 2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1-phenylethanol (CID 71177798) is 2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1-phenylethanol.
What is the SMILES notation for 2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1-phenylethanol?
The canonical SMILES for 2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1-phenylethanol is Nc1ccc(-c2cc(NCC(O)c3ccccc3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1-phenylethanol?
The InChIKey is JBHRRVALKPDTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c22-19-7-6-16(13-23-19)17-12-20(24-14-18(28)15-4-2-1-3-5-15)26-21(25-17)27-8-10-29-11-9-27/h1-7,12-13,18,28H,8-11,14H2,(H2,22,23)(H,24,25,26).
What are the key properties of 2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1-phenylethanol?
2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1-phenylethanol has a molecular weight of 392.46 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(6-amino-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]amino]-1-phenylethanol is sourced from PubChem (CID 71177798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).