N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine

C15H16ClFN4O2 — CID 155568277

IUPACN-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(N3CCOCC3)ncc2F)cc1Cl
InChIInChI=1S/C15H16ClFN4O2/c1-22-13-3-2-10(8-11(13)16)19-14-12(17)9-18-15(20-14)21-4-6-23-7-5-21/h2-3,8-9H,4-7H2,1H3,(H,18,19,20)
InChIKeyAVLMMCGZPRSKSO-UHFFFAOYSA-N
MW338.77 g/mol
LogP2.86
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine

N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 155568277) has the molecular formula C15H16ClFN4O2 and a molecular weight of 338.77 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID155568277
Molecular FormulaC15H16ClFN4O2
Molecular Weight338.77 g/mol
Exact Mass338.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(N3CCOCC3)ncc2F)cc1Cl
InChIInChI=1S/C15H16ClFN4O2/c1-22-13-3-2-10(8-11(13)16)19-14-12(17)9-18-15(20-14)21-4-6-23-7-5-21/h2-3,8-9H,4-7H2,1H3,(H,18,19,20)
InChIKeyAVLMMCGZPRSKSO-UHFFFAOYSA-N
XLogP2.86
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-N,N'-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 802942
4-N-(2,5-dichlorophenyl)-2-N-{4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl}pyrimidine-2,4-diamine
CID 4475481
2,4-Bis anilino pyrimidine deriv. 19
CID 6539002
N-(3-((4-((3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)pyrimidin-5-yl)ethynyl)phenyl)acetamide
CID 11656050
(2S)-1-[4-({4-[(2,5-Dichlorophenyl)amino]-2-pyrimidinyl}amino)phenoxy]-3-(dimethylamino)-2-propanol
CID 445953
2,4-Bis anilino pyrimidine deriv. 3
CID 6538987
2,4-Bis anilino pyrimidine deriv. 8
CID 6538992
N-[3-[[5-chloro-2-[3-chloro-4-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 145990342
N-[3-[[5-chloro-2-[3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 145990895
N-[3-[[5-chloro-2-[3-chloro-4-[3-(4-ethylpiperazin-1-yl)propoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 145994233
5-fluoro-N-(4-methoxyphenyl)-4-(4-morpholinyl)-2-pyrimidinamine
CID 2210271
N-(3-chloro-4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5055605

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine (CID 155568277) is N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine is COc1ccc(Nc2nc(N3CCOCC3)ncc2F)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is AVLMMCGZPRSKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4O2/c1-22-13-3-2-10(8-11(13)16)19-14-12(17)9-18-15(20-14)21-4-6-23-7-5-21/h2-3,8-9H,4-7H2,1H3,(H,18,19,20).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine?
N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 338.77 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-fluoro-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 155568277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).