4-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyrimidine-2,4-diamine

C17H22FN5 — CID 72913524

IUPAC4-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCC(c2ccc(F)cc2)N2CCCC2)nc(N)n1
InChIInChI=1S/C17H22FN5/c1-12-10-16(22-17(19)21-12)20-11-15(23-8-2-3-9-23)13-4-6-14(18)7-5-13/h4-7,10,15H,2-3,8-9,11H2,1H3,(H3,19,20,21,22)
InChIKeyCYLMNFMQWGXSLO-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.76
Rot. Bonds5

About 4-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyrimidine-2,4-diamine

4-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 72913524) has the molecular formula C17H22FN5 and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyrimidine-2,4-diamine
PubChem CID72913524
Molecular FormulaC17H22FN5
Molecular Weight315.40 g/mol
Exact Mass315.19
IUPAC Name4-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCC(c2ccc(F)cc2)N2CCCC2)nc(N)n1
InChIInChI=1S/C17H22FN5/c1-12-10-16(22-17(19)21-12)20-11-15(23-8-2-3-9-23)13-4-6-14(18)7-5-13/h4-7,10,15H,2-3,8-9,11H2,1H3,(H3,19,20,21,22)
InChIKeyCYLMNFMQWGXSLO-UHFFFAOYSA-N
XLogP2.76
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1-ethylpyrazol-4-yl)-4-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-2,4-diamine
CID 92627903
N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-(1H-pyrazol-5-yl)pyrimidin-4-amine
CID 92612455
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyridine-4-carboxamide
CID 74238178
5-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-diamine
CID 167972006
2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 22692501
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 118782996
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 17495949
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylquinolin-4-amine
CID 71899447
6-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-2,4-diamine
CID 102908872
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 72875943
2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine
CID 6484142
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 97203299

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyrimidine-2,4-diamine (CID 72913524) is 4-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyrimidine-2,4-diamine is Cc1cc(NCC(c2ccc(F)cc2)N2CCCC2)nc(N)n1.
What is the InChIKey of 4-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is CYLMNFMQWGXSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5/c1-12-10-16(22-17(19)21-12)20-11-15(23-8-2-3-9-23)13-4-6-14(18)7-5-13/h4-7,10,15H,2-3,8-9,11H2,1H3,(H3,19,20,21,22).
What are the key properties of 4-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyrimidine-2,4-diamine?
4-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 315.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 72913524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).