[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone

C16H18N6O — CID 139580413

IUPAC[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc(NC2(c3cncnc3)CC2)nc1)N1CCCC1
InChIInChI=1S/C16H18N6O/c23-14(22-5-1-2-6-22)12-7-19-15(20-8-12)21-16(3-4-16)13-9-17-11-18-10-13/h7-11H,1-6H2,(H,19,20,21)
InChIKeyBNVFCKCTVQOHCN-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.60
Rot. Bonds4

About [2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone

[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 139580413) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is [2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID139580413
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc(NC2(c3cncnc3)CC2)nc1)N1CCCC1
InChIInChI=1S/C16H18N6O/c23-14(22-5-1-2-6-22)12-7-19-15(20-8-12)21-16(3-4-16)13-9-17-11-18-10-13/h7-11H,1-6H2,(H,19,20,21)
InChIKeyBNVFCKCTVQOHCN-UHFFFAOYSA-N
XLogP1.60
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

morpholin-4-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 134177712
1-oxa-7-azaspiro[3.5]nonan-7-yl-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 134177590
[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 139580374
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 145441251
[(2R)-2-ethynylpiperidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 145441238
[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
[(3R,5R)-3-cyclopropyl-5-hydroxypiperidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 139580387
[(3S,4S)-3-(hydroxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]methanone
CID 139580395
3-[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidine-5-carbonyl]benzamide
CID 134539199
(2-methylpyrimidin-5-yl)-pyrrolidin-1-ylmethanone
CID 89084134
[2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109248626

Frequently Asked Questions

What is the IUPAC name of [2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone (CID 139580413) is [2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone is O=C(c1cnc(NC2(c3cncnc3)CC2)nc1)N1CCCC1.
What is the InChIKey of [2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is BNVFCKCTVQOHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c23-14(22-5-1-2-6-22)12-7-19-15(20-8-12)21-16(3-4-16)13-9-17-11-18-10-13/h7-11H,1-6H2,(H,19,20,21).
What are the key properties of [2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
[2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 310.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-pyrimidin-5-ylcyclopropyl)amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 139580413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).