N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine

C11H13N5 — CID 141413091

IUPACN-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
SMILESc1cc2c(N[C@@H]3CCNC3)ncnc2cn1
InChIInChI=1S/C11H13N5/c1-3-12-5-8(1)16-11-9-2-4-13-6-10(9)14-7-15-11/h2,4,6-8,12H,1,3,5H2,(H,14,15,16)/t8-/m1/s1
InChIKeyVOLZBRQBYFFRMD-MRVPVSSYSA-N
MW215.26 g/mol
LogP0.80
Rot. Bonds2

About N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine

N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 141413091) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
PubChem CID141413091
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC NameN-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine
SMILESc1cc2c(N[C@@H]3CCNC3)ncnc2cn1
InChIInChI=1S/C11H13N5/c1-3-12-5-8(1)16-11-9-2-4-13-6-10(9)14-7-15-11/h2,4,6-8,12H,1,3,5H2,(H,14,15,16)/t8-/m1/s1
InChIKeyVOLZBRQBYFFRMD-MRVPVSSYSA-N
XLogP0.80
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine (CID 141413091) is N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine is c1cc2c(N[C@@H]3CCNC3)ncnc2cn1.
What is the InChIKey of N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is VOLZBRQBYFFRMD-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13N5/c1-3-12-5-8(1)16-11-9-2-4-13-6-10(9)14-7-15-11/h2,4,6-8,12H,1,3,5H2,(H,14,15,16)/t8-/m1/s1.
What are the key properties of N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine?
N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 215.26 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-pyrrolidin-3-yl]pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 141413091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).