[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone

C17H20N6O2 — CID 145441251

IUPAC[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NC2(c3cncnc3)CC2)nc1)N1CCC[C@H]1CO
InChIInChI=1S/C17H20N6O2/c24-10-14-2-1-5-23(14)15(25)12-6-20-16(21-7-12)22-17(3-4-17)13-8-18-11-19-9-13/h6-9,11,14,24H,1-5,10H2,(H,20,21,22)/t14-/m0/s1
InChIKeyOOJVCOMTAHGTFR-AWEZNQCLSA-N
MW340.39 g/mol
LogP0.96
Rot. Bonds5

About [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone

[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone (PubChem CID 145441251) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
PubChem CID145441251
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NC2(c3cncnc3)CC2)nc1)N1CCC[C@H]1CO
InChIInChI=1S/C17H20N6O2/c24-10-14-2-1-5-23(14)15(25)12-6-20-16(21-7-12)22-17(3-4-17)13-8-18-11-19-9-13/h6-9,11,14,24H,1-5,10H2,(H,20,21,22)/t14-/m0/s1
InChIKeyOOJVCOMTAHGTFR-AWEZNQCLSA-N
XLogP0.96
TPSA104.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone with MolForge

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Related Compounds

[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 139580413
[(2R)-2-ethynylpiperidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 145441238
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 104629891
[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 139580374
morpholin-4-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 134177712
[(3S,4S)-3-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 139580395
[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 145441240
[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 139580369
1-oxa-7-azaspiro[3.5]nonan-7-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 134177590
[(3R,5R)-3-cyclopropyl-5-hydroxypiperidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 139580387
[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone
CID 62173422
[2-(3-chloropropyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922712

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The IUPAC name of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone (CID 145441251) is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone.
What is the SMILES notation for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The canonical SMILES for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone is O=C(c1cnc(NC2(c3cncnc3)CC2)nc1)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
The InChIKey is OOJVCOMTAHGTFR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N6O2/c24-10-14-2-1-5-23(14)15(25)12-6-20-16(21-7-12)22-17(3-4-17)13-8-18-11-19-9-13/h6-9,11,14,24H,1-5,10H2,(H,20,21,22)/t14-/m0/s1.
What are the key properties of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone?
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone has a molecular weight of 340.39 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 145441251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).