2-chloro-5-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol

C19H18ClN5O2 — CID 10000054

IUPAC2-chloro-5-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
SMILESOc1cc(-c2cc(Nc3cccnc3)nc(N3CCOCC3)n2)ccc1Cl
InChIInChI=1S/C19H18ClN5O2/c20-15-4-3-13(10-17(15)26)16-11-18(22-14-2-1-5-21-12-14)24-19(23-16)25-6-8-27-9-7-25/h1-5,10-12,26H,6-9H2,(H,22,23,24)
InChIKeyCPWLDZXVPJHWPL-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.48
Rot. Bonds4

About 2-chloro-5-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol

2-chloro-5-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol (PubChem CID 10000054) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is 2-chloro-5-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-chloro-5-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
PubChem CID10000054
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name2-chloro-5-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
SMILESOc1cc(-c2cc(Nc3cccnc3)nc(N3CCOCC3)n2)ccc1Cl
InChIInChI=1S/C19H18ClN5O2/c20-15-4-3-13(10-17(15)26)16-11-18(22-14-2-1-5-21-12-14)24-19(23-16)25-6-8-27-9-7-25/h1-5,10-12,26H,6-9H2,(H,22,23,24)
InChIKeyCPWLDZXVPJHWPL-UHFFFAOYSA-N
XLogP3.48
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
CID 135433965
6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-morpholin-4-yl-N-pyridin-3-ylpyrimidin-4-amine
CID 142901875
6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine
CID 71177854
2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112935500
6-morpholin-4-yl-N-pyridin-3-ylpyrimidin-4-amine
CID 122282498
N-[6-(3-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
CID 52946107
N-[3-[6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidin-4-yl]phenyl]hydroxylamine
CID 89423887
N-[3-[2-morpholin-4-yl-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide
CID 53318702
N-(4-chlorophenyl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine
CID 121272441
6-(3-amino-4-methanimidoylphenyl)-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 145062178
6-(5,6-dimethoxy-3-pyridinyl)-N-(2-methoxy-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 126678421
6-(6-amino-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507630

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol?
The IUPAC name of 2-chloro-5-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol (CID 10000054) is 2-chloro-5-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol.
What is the SMILES notation for 2-chloro-5-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol?
The canonical SMILES for 2-chloro-5-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol is Oc1cc(-c2cc(Nc3cccnc3)nc(N3CCOCC3)n2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol?
The InChIKey is CPWLDZXVPJHWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c20-15-4-3-13(10-17(15)26)16-11-18(22-14-2-1-5-21-12-14)24-19(23-16)25-6-8-27-9-7-25/h1-5,10-12,26H,6-9H2,(H,22,23,24).
What are the key properties of 2-chloro-5-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol?
2-chloro-5-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol has a molecular weight of 383.84 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol is sourced from PubChem (CID 10000054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).