1-[2-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)pyrimidin-4-yl]pyrrolidin-3-amine

C16H20N6 — CID 167745438

IUPAC1-[2-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)pyrimidin-4-yl]pyrrolidin-3-amine
SMILESNC1CCN(c2ccnc(N3CCc4cnccc4C3)n2)C1
InChIInChI=1S/C16H20N6/c17-14-4-8-21(11-14)15-2-6-19-16(20-15)22-7-3-12-9-18-5-1-13(12)10-22/h1-2,5-6,9,14H,3-4,7-8,10-11,17H2
InChIKeyPLBKFOQEPBRVPO-UHFFFAOYSA-N
MW296.38 g/mol
LogP0.97
Rot. Bonds2

About 1-[2-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)pyrimidin-4-yl]pyrrolidin-3-amine

1-[2-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)pyrimidin-4-yl]pyrrolidin-3-amine (PubChem CID 167745438) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)pyrimidin-4-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)pyrimidin-4-yl]pyrrolidin-3-amine
PubChem CID167745438
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name1-[2-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)pyrimidin-4-yl]pyrrolidin-3-amine
SMILESNC1CCN(c2ccnc(N3CCc4cnccc4C3)n2)C1
InChIInChI=1S/C16H20N6/c17-14-4-8-21(11-14)15-2-6-19-16(20-15)22-7-3-12-9-18-5-1-13(12)10-22/h1-2,5-6,9,14H,3-4,7-8,10-11,17H2
InChIKeyPLBKFOQEPBRVPO-UHFFFAOYSA-N
XLogP0.97
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)pyrimidin-4-yl]pyrrolidin-3-amine with MolForge

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Related Compounds

4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
CID 59631602
(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-amine
CID 71643947
2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine
CID 90103653
(3R)-1-pyrazin-2-ylpyrrolidin-3-amine
CID 56965619
(3R)-1-(4-chloropyrimidin-2-yl)pyrrolidin-3-amine
CID 71643772
2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112894219
3-chloro-N-[1-[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]piperidin-4-yl]pyridin-4-amine
CID 166340936
4-(3-aminopyrrolidin-1-yl)-N-cyclobutylpyrimidin-2-amine
CID 76709122
8-[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112894346
1-[2-(5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 56893416
1-[2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 56897191
4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]morpholine
CID 112886562

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)pyrimidin-4-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[2-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)pyrimidin-4-yl]pyrrolidin-3-amine (CID 167745438) is 1-[2-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)pyrimidin-4-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)pyrimidin-4-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[2-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)pyrimidin-4-yl]pyrrolidin-3-amine is NC1CCN(c2ccnc(N3CCc4cnccc4C3)n2)C1.
What is the InChIKey of 1-[2-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)pyrimidin-4-yl]pyrrolidin-3-amine?
The InChIKey is PLBKFOQEPBRVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c17-14-4-8-21(11-14)15-2-6-19-16(20-15)22-7-3-12-9-18-5-1-13(12)10-22/h1-2,5-6,9,14H,3-4,7-8,10-11,17H2.
What are the key properties of 1-[2-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)pyrimidin-4-yl]pyrrolidin-3-amine?
1-[2-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)pyrimidin-4-yl]pyrrolidin-3-amine has a molecular weight of 296.38 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)pyrimidin-4-yl]pyrrolidin-3-amine is sourced from PubChem (CID 167745438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).