2-tert-butyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-(methoxymethyl)pyrimidin-4-amine

C19H26FN5O — CID 133412333

IUPAC2-tert-butyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NC2CCN(c3ncccc3F)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C19H26FN5O/c1-19(2,3)18-23-14(12-26-4)10-16(24-18)22-13-7-9-25(11-13)17-15(20)6-5-8-21-17/h5-6,8,10,13H,7,9,11-12H2,1-4H3,(H,22,23,24)
InChIKeyLDGGNKGNLWCOEB-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.15
Rot. Bonds5

About 2-tert-butyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-(methoxymethyl)pyrimidin-4-amine

2-tert-butyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 133412333) has the molecular formula C19H26FN5O and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-tert-butyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID133412333
Molecular FormulaC19H26FN5O
Molecular Weight359.45 g/mol
Exact Mass359.21
IUPAC Name2-tert-butyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(NC2CCN(c3ncccc3F)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C19H26FN5O/c1-19(2,3)18-23-14(12-26-4)10-16(24-18)22-13-7-9-25(11-13)17-15(20)6-5-8-21-17/h5-6,8,10,13H,7,9,11-12H2,1-4H3,(H,22,23,24)
InChIKeyLDGGNKGNLWCOEB-UHFFFAOYSA-N
XLogP3.15
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-tert-butyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-(methoxymethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-N-(1-cyclopentylpiperidin-4-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133412075
5-bromo-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpyridin-2-amine
CID 133404187
2-tert-butyl-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 133405022
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 133491003
3-tert-butyl-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine
CID 133494519
(3S)-1-(3-fluoro-2-pyridinyl)-N-[(1S)-1-quinolin-2-ylethyl]pyrrolidin-3-amine
CID 97323599
(3S)-1-(3-fluoro-2-pyridinyl)-N-[(1R)-1-quinolin-2-ylethyl]pyrrolidin-3-amine
CID 97323600
2-tert-butyl-6-(methoxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
CID 133400878
2-tert-butyl-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 133412619
3-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 133402713
N-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357585
3-(4-fluorophenyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-5-amine
CID 167898363

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-(methoxymethyl)pyrimidin-4-amine (CID 133412333) is 2-tert-butyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-(methoxymethyl)pyrimidin-4-amine is COCc1cc(NC2CCN(c3ncccc3F)C2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is LDGGNKGNLWCOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O/c1-19(2,3)18-23-14(12-26-4)10-16(24-18)22-13-7-9-25(11-13)17-15(20)6-5-8-21-17/h5-6,8,10,13H,7,9,11-12H2,1-4H3,(H,22,23,24).
What are the key properties of 2-tert-butyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-(methoxymethyl)pyrimidin-4-amine?
2-tert-butyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 359.45 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 133412333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).