2-chloro-5-[(2-fluoro-6-methylanilino)methyl]-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine

C16H19ClFN5 — CID 166590518

IUPAC2-chloro-5-[(2-fluoro-6-methylanilino)methyl]-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1cccc(F)c1NCc1cnc(Cl)nc1N[C@@H]1CCNC1
InChIInChI=1S/C16H19ClFN5/c1-10-3-2-4-13(18)14(10)20-7-11-8-21-16(17)23-15(11)22-12-5-6-19-9-12/h2-4,8,12,19-20H,5-7,9H2,1H3,(H,21,22,23)/t12-/m1/s1
InChIKeyGUKFIOYKODKLKP-GFCCVEGCSA-N
MW335.81 g/mol
LogP2.96
Rot. Bonds5

About 2-chloro-5-[(2-fluoro-6-methylanilino)methyl]-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine

2-chloro-5-[(2-fluoro-6-methylanilino)methyl]-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 166590518) has the molecular formula C16H19ClFN5 and a molecular weight of 335.81 g/mol. Its IUPAC name is 2-chloro-5-[(2-fluoro-6-methylanilino)methyl]-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-[(2-fluoro-6-methylanilino)methyl]-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID166590518
Molecular FormulaC16H19ClFN5
Molecular Weight335.81 g/mol
Exact Mass335.13
IUPAC Name2-chloro-5-[(2-fluoro-6-methylanilino)methyl]-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1cccc(F)c1NCc1cnc(Cl)nc1N[C@@H]1CCNC1
InChIInChI=1S/C16H19ClFN5/c1-10-3-2-4-13(18)14(10)20-7-11-8-21-16(17)23-15(11)22-12-5-6-19-9-12/h2-4,8,12,19-20H,5-7,9H2,1H3,(H,21,22,23)/t12-/m1/s1
InChIKeyGUKFIOYKODKLKP-GFCCVEGCSA-N
XLogP2.96
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-chloro-5-[(2-fluoro-6-methylanilino)methyl]-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine with MolForge

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Related Compounds

tert-butyl (3R)-3-[[2-chloro-5-[(2-fluoro-6-methylanilino)methyl]pyrimidin-4-yl]amino]azepane-1-carboxylate
CID 175845529
2-chloro-5-[(2,6-dimethylanilino)methyl]-N-methylpyrimidin-4-amine
CID 162766744
2-chloro-5-fluoro-N-piperidin-4-ylpyrimidin-4-amine
CID 59210379
3-fluoro-N-pyrrolidin-3-ylpyridin-2-amine
CID 62732869
N-[(4-chloro-2-methylphenyl)methyl]-2-fluoro-6-methylaniline
CID 114075525
8-fluoro-N-[(3R)-pyrrolidin-3-yl]quinazolin-2-amine
CID 148694328
2-chloro-5-N-methyl-4-N-piperidin-4-ylpyrimidine-4,5-diamine
CID 146275528
(3R)-N-[(2-chloropyrimidin-4-yl)methyl]pyrrolidin-3-amine
CID 71640491
N-[(2,4-dimethylpyrimidin-5-yl)methyl]-2,6-dimethylaniline
CID 160673167
2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 71638529
3-bromo-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 106876094
2-chloro-5-methoxy-N-piperidin-4-ylpyrimidin-4-amine;dihydrochloride
CID 86618550

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-fluoro-6-methylanilino)methyl]-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-[(2-fluoro-6-methylanilino)methyl]-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine (CID 166590518) is 2-chloro-5-[(2-fluoro-6-methylanilino)methyl]-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-[(2-fluoro-6-methylanilino)methyl]-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-[(2-fluoro-6-methylanilino)methyl]-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine is Cc1cccc(F)c1NCc1cnc(Cl)nc1N[C@@H]1CCNC1.
What is the InChIKey of 2-chloro-5-[(2-fluoro-6-methylanilino)methyl]-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is GUKFIOYKODKLKP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19ClFN5/c1-10-3-2-4-13(18)14(10)20-7-11-8-21-16(17)23-15(11)22-12-5-6-19-9-12/h2-4,8,12,19-20H,5-7,9H2,1H3,(H,21,22,23)/t12-/m1/s1.
What are the key properties of 2-chloro-5-[(2-fluoro-6-methylanilino)methyl]-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine?
2-chloro-5-[(2-fluoro-6-methylanilino)methyl]-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 335.81 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-fluoro-6-methylanilino)methyl]-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 166590518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).