2-[(3S,4S)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C15H20FN7 — CID 169170191

IUPAC2-[(3S,4S)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESNC[C@H]1CN(c2nccc(Nc3cc(C4CC4)[nH]n3)n2)C[C@H]1F
InChIInChI=1S/C15H20FN7/c16-11-8-23(7-10(11)6-17)15-18-4-3-13(20-15)19-14-5-12(21-22-14)9-1-2-9/h3-5,9-11H,1-2,6-8,17H2,(H2,18,19,20,21,22)/t10-,11+/m0/s1
InChIKeyJYXNCQUWCOVXLO-WDEREUQCSA-N
MW317.37 g/mol
LogP1.55
Rot. Bonds5

About 2-[(3S,4S)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine

2-[(3S,4S)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 169170191) has the molecular formula C15H20FN7 and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-[(3S,4S)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3S,4S)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID169170191
Molecular FormulaC15H20FN7
Molecular Weight317.37 g/mol
Exact Mass317.18
IUPAC Name2-[(3S,4S)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESNC[C@H]1CN(c2nccc(Nc3cc(C4CC4)[nH]n3)n2)C[C@H]1F
InChIInChI=1S/C15H20FN7/c16-11-8-23(7-10(11)6-17)15-18-4-3-13(20-15)19-14-5-12(21-22-14)9-1-2-9/h3-5,9-11H,1-2,6-8,17H2,(H2,18,19,20,21,22)/t10-,11+/m0/s1
InChIKeyJYXNCQUWCOVXLO-WDEREUQCSA-N
XLogP1.55
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[[(3S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4-fluoropyrrolidin-3-yl]methyl]carbamate
CID 169170336
2-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 170131198
2-[5-(aminomethyl)-3-fluoro-3-methylpiperidin-1-yl]-N-(5-cyclopentyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 169170320
2-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 176763076
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[(1S)-2,2-dimethylcyclopropyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 170132228
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-(3-propylpyrrolidin-1-yl)pyrimidin-4-amine
CID 169160087
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-[(3R)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 169170094
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(2R)-2-(methylaminomethyl)morpholin-4-yl]pyrimidin-4-amine
CID 169170276
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,3-dithia-7,10-diazabicyclo[3.3.2]dec-4-en-7-yl)pyrimidin-4-amine
CID 169170270
3-(aminomethyl)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperidine-3-carbonitrile
CID 169170069
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine;molecular hydrogen
CID 162002433
1-[1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyrrolidin-3-yl]propane-2-thiol
CID 169160007

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-[(3S,4S)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 169170191) is 2-[(3S,4S)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-[(3S,4S)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-[(3S,4S)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine is NC[C@H]1CN(c2nccc(Nc3cc(C4CC4)[nH]n3)n2)C[C@H]1F.
What is the InChIKey of 2-[(3S,4S)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is JYXNCQUWCOVXLO-WDEREUQCSA-N. The full InChI is InChI=1S/C15H20FN7/c16-11-8-23(7-10(11)6-17)15-18-4-3-13(20-15)19-14-5-12(21-22-14)9-1-2-9/h3-5,9-11H,1-2,6-8,17H2,(H2,18,19,20,21,22)/t10-,11+/m0/s1.
What are the key properties of 2-[(3S,4S)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
2-[(3S,4S)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 317.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 169170191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).