4-[(7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine

C14H21N5O — CID 70882143

IUPAC4-[(7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine
SMILESNc1nc2c(c(N3CC4CCCN[C@H]4C3)n1)COCC2
InChIInChI=1S/C14H21N5O/c15-14-17-11-3-5-20-8-10(11)13(18-14)19-6-9-2-1-4-16-12(9)7-19/h9,12,16H,1-8H2,(H2,15,17,18)/t9?,12-/m0/s1
InChIKeyNNMKBTFDQKZNEE-ACGXKRRESA-N
MW275.36 g/mol
LogP0.32
Rot. Bonds1

About 4-[(7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine

4-[(7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine (PubChem CID 70882143) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-[(7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine
PubChem CID70882143
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name4-[(7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine
SMILESNc1nc2c(c(N3CC4CCCN[C@H]4C3)n1)COCC2
InChIInChI=1S/C14H21N5O/c15-14-17-11-3-5-20-8-10(11)13(18-14)19-6-9-2-1-4-16-12(9)7-19/h9,12,16H,1-8H2,(H2,15,17,18)/t9?,12-/m0/s1
InChIKeyNNMKBTFDQKZNEE-ACGXKRRESA-N
XLogP0.32
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine?
The IUPAC name of 4-[(7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine (CID 70882143) is 4-[(7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[(7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-[(7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine is Nc1nc2c(c(N3CC4CCCN[C@H]4C3)n1)COCC2.
What is the InChIKey of 4-[(7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine?
The InChIKey is NNMKBTFDQKZNEE-ACGXKRRESA-N. The full InChI is InChI=1S/C14H21N5O/c15-14-17-11-3-5-20-8-10(11)13(18-14)19-6-9-2-1-4-16-12(9)7-19/h9,12,16H,1-8H2,(H2,15,17,18)/t9?,12-/m0/s1.
What are the key properties of 4-[(7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine?
4-[(7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine has a molecular weight of 275.36 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 70882143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).