2-N-(3-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine

C20H21FN6 — CID 145287660

IUPAC2-N-(3-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2cccc(F)c2)ncc1-c1ccc(CN2CCCC2)cn1
InChIInChI=1S/C20H21FN6/c21-15-4-3-5-16(10-15)25-20-24-12-17(19(22)26-20)18-7-6-14(11-23-18)13-27-8-1-2-9-27/h3-7,10-12H,1-2,8-9,13H2,(H3,22,24,25,26)
InChIKeyHTBQEOKQKIRYID-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.60
Rot. Bonds5

About 2-N-(3-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine

2-N-(3-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine (PubChem CID 145287660) has the molecular formula C20H21FN6 and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-N-(3-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine
PubChem CID145287660
Molecular FormulaC20H21FN6
Molecular Weight364.43 g/mol
Exact Mass364.18
IUPAC Name2-N-(3-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2cccc(F)c2)ncc1-c1ccc(CN2CCCC2)cn1
InChIInChI=1S/C20H21FN6/c21-15-4-3-5-16(10-15)25-20-24-12-17(19(22)26-20)18-7-6-14(11-23-18)13-27-8-1-2-9-27/h3-7,10-12H,1-2,8-9,13H2,(H3,22,24,25,26)
InChIKeyHTBQEOKQKIRYID-UHFFFAOYSA-N
XLogP3.60
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

cyclohexanol;2-N-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine
CID 145287637
4-N-cyclohexyl-2-N-(2-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine
CID 144944175
4-[[2-(4-iodoanilino)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 144944286
4-[[2-(4-bromoanilino)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439827
2-N-(2-chloro-4-pyridinyl)-5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 167266686
N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 19062870
5-[4-(dimethylamino)butyl]-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine
CID 67281260
N-(3-fluorophenyl)-7-piperazin-1-yloxy-6-pyridin-2-ylquinazolin-2-amine
CID 59325534
5-(3-piperidin-1-ylpropyl)-2-N-(3-pyridin-2-ylphenyl)pyrimidine-2,4-diamine
CID 91567782
3-[1-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-2-yl]-5-[4-(pyrrolidin-1-ylmethyl)phenyl]pyridin-2-amine
CID 58180036
6-(azepan-1-yl)-2-N-(3-fluorophenyl)-5-nitropyrimidine-2,4-diamine
CID 3460003
5-(3-fluorophenyl)-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 68903360

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine (CID 145287660) is 2-N-(3-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine is Nc1nc(Nc2cccc(F)c2)ncc1-c1ccc(CN2CCCC2)cn1.
What is the InChIKey of 2-N-(3-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine?
The InChIKey is HTBQEOKQKIRYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6/c21-15-4-3-5-16(10-15)25-20-24-12-17(19(22)26-20)18-7-6-14(11-23-18)13-27-8-1-2-9-27/h3-7,10-12H,1-2,8-9,13H2,(H3,22,24,25,26).
What are the key properties of 2-N-(3-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine?
2-N-(3-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine has a molecular weight of 364.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 145287660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).