7-ethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine

C14H20N6 — CID 71525679

IUPAC7-ethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine
SMILESCCc1cnc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1
InChIInChI=1S/C14H20N6/c1-3-9-6-11-12(17-7-9)13(19-14(15)18-11)20-5-4-10(8-20)16-2/h6-7,10,16H,3-5,8H2,1-2H3,(H2,15,18,19)/t10-/m1/s1
InChIKeyQEDDBMMRWNQKSG-SNVBAGLBSA-N
MW272.36 g/mol
LogP0.97
Rot. Bonds3

About 7-ethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine

7-ethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 71525679) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 7-ethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-ethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine
PubChem CID71525679
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name7-ethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine
SMILESCCc1cnc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1
InChIInChI=1S/C14H20N6/c1-3-9-6-11-12(17-7-9)13(19-14(15)18-11)20-5-4-10(8-20)16-2/h6-7,10,16H,3-5,8H2,1-2H3,(H2,15,18,19)/t10-/m1/s1
InChIKeyQEDDBMMRWNQKSG-SNVBAGLBSA-N
XLogP0.97
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-ethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine (CID 71525679) is 7-ethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-ethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-ethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine is CCc1cnc2c(N3CC[C@@H](NC)C3)nc(N)nc2c1.
What is the InChIKey of 7-ethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is QEDDBMMRWNQKSG-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N6/c1-3-9-6-11-12(17-7-9)13(19-14(15)18-11)20-5-4-10(8-20)16-2/h6-7,10,16H,3-5,8H2,1-2H3,(H2,15,18,19)/t10-/m1/s1.
What are the key properties of 7-ethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine?
7-ethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 272.36 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 71525679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).