5-chloro-4-N-(2-fluoro-4-morpholin-4-yl-6-prop-2-enoxyphenyl)pyrimidine-2,4-diamine

C17H19ClFN5O2 — CID 141202702

IUPAC5-chloro-4-N-(2-fluoro-4-morpholin-4-yl-6-prop-2-enoxyphenyl)pyrimidine-2,4-diamine
SMILESC=CCOc1cc(N2CCOCC2)cc(F)c1Nc1nc(N)ncc1Cl
InChIInChI=1S/C17H19ClFN5O2/c1-2-5-26-14-9-11(24-3-6-25-7-4-24)8-13(19)15(14)22-16-12(18)10-21-17(20)23-16/h2,8-10H,1,3-7H2,(H3,20,21,22,23)
InChIKeyPQSGRPBGEUUIKR-UHFFFAOYSA-N
MW379.82 g/mol
LogP3.00
Rot. Bonds6

About 5-chloro-4-N-(2-fluoro-4-morpholin-4-yl-6-prop-2-enoxyphenyl)pyrimidine-2,4-diamine

5-chloro-4-N-(2-fluoro-4-morpholin-4-yl-6-prop-2-enoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 141202702) has the molecular formula C17H19ClFN5O2 and a molecular weight of 379.82 g/mol. Its IUPAC name is 5-chloro-4-N-(2-fluoro-4-morpholin-4-yl-6-prop-2-enoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-fluoro-4-morpholin-4-yl-6-prop-2-enoxyphenyl)pyrimidine-2,4-diamine
PubChem CID141202702
Molecular FormulaC17H19ClFN5O2
Molecular Weight379.82 g/mol
Exact Mass379.12
IUPAC Name5-chloro-4-N-(2-fluoro-4-morpholin-4-yl-6-prop-2-enoxyphenyl)pyrimidine-2,4-diamine
SMILESC=CCOc1cc(N2CCOCC2)cc(F)c1Nc1nc(N)ncc1Cl
InChIInChI=1S/C17H19ClFN5O2/c1-2-5-26-14-9-11(24-3-6-25-7-4-24)8-13(19)15(14)22-16-12(18)10-21-17(20)23-16/h2,8-10H,1,3-7H2,(H3,20,21,22,23)
InChIKeyPQSGRPBGEUUIKR-UHFFFAOYSA-N
XLogP3.00
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-N-(2,5-dichloropyrimidin-4-yl)-2-fluoro-4-N,4-N-dimethyl-6-prop-2-enoxybenzene-1,4-diamine
CID 86634065
5-fluoro-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 80811982
5-chloro-4-N-[4-(dimethylamino)-2-fluoro-6-prop-2-enoxyphenyl]-2-N-[3-(2-methoxyethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]pyrimidine-2,4-diamine
CID 67263837
2-N-(5-amino-4-chloro-2-methoxyphenyl)-5-chloro-4-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 141427231
2-N-(5-amino-2-cyclopropylphenyl)-5-chloro-4-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 141427246
N-[2-[[5-chloro-2-(2-fluoro-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 46946007
5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114841159
5-chloro-2-N-(3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 131729555
5-chloro-4-N-[2-fluoro-6-(3-phenylmethoxypropoxy)phenyl]pyrimidine-2,4-diamine
CID 141202671
5-(2-aminopyrimidin-5-yl)-N-(3-chloro-4-fluorophenyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 68647409
5-chloro-4-N-(2,5-difluoro-4-methylphenyl)pyrimidine-2,4-diamine
CID 103587802
2-[[5-chloro-2-(3-fluoro-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]benzamide
CID 90667141

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2-fluoro-4-morpholin-4-yl-6-prop-2-enoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2-fluoro-4-morpholin-4-yl-6-prop-2-enoxyphenyl)pyrimidine-2,4-diamine (CID 141202702) is 5-chloro-4-N-(2-fluoro-4-morpholin-4-yl-6-prop-2-enoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-fluoro-4-morpholin-4-yl-6-prop-2-enoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2-fluoro-4-morpholin-4-yl-6-prop-2-enoxyphenyl)pyrimidine-2,4-diamine is C=CCOc1cc(N2CCOCC2)cc(F)c1Nc1nc(N)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-(2-fluoro-4-morpholin-4-yl-6-prop-2-enoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is PQSGRPBGEUUIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN5O2/c1-2-5-26-14-9-11(24-3-6-25-7-4-24)8-13(19)15(14)22-16-12(18)10-21-17(20)23-16/h2,8-10H,1,3-7H2,(H3,20,21,22,23).
What are the key properties of 5-chloro-4-N-(2-fluoro-4-morpholin-4-yl-6-prop-2-enoxyphenyl)pyrimidine-2,4-diamine?
5-chloro-4-N-(2-fluoro-4-morpholin-4-yl-6-prop-2-enoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 379.82 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2-fluoro-4-morpholin-4-yl-6-prop-2-enoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 141202702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).