N-[(1R)-1-phenylethyl]-2-pyrazolidin-4-ylpyrido[3,4-d]pyrimidin-4-amine

C18H20N6 — CID 166177652

IUPACN-[(1R)-1-phenylethyl]-2-pyrazolidin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1nc(C2CNNC2)nc2cnccc12)c1ccccc1
InChIInChI=1S/C18H20N6/c1-12(13-5-3-2-4-6-13)22-18-15-7-8-19-11-16(15)23-17(24-18)14-9-20-21-10-14/h2-8,11-12,14,20-21H,9-10H2,1H3,(H,22,23,24)/t12-/m1/s1
InChIKeyTXRQBRTXJADZOQ-GFCCVEGCSA-N
MW320.40 g/mol
LogP2.39
Rot. Bonds4

About N-[(1R)-1-phenylethyl]-2-pyrazolidin-4-ylpyrido[3,4-d]pyrimidin-4-amine

N-[(1R)-1-phenylethyl]-2-pyrazolidin-4-ylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 166177652) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-2-pyrazolidin-4-ylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-2-pyrazolidin-4-ylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID166177652
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC NameN-[(1R)-1-phenylethyl]-2-pyrazolidin-4-ylpyrido[3,4-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1nc(C2CNNC2)nc2cnccc12)c1ccccc1
InChIInChI=1S/C18H20N6/c1-12(13-5-3-2-4-6-13)22-18-15-7-8-19-11-16(15)23-17(24-18)14-9-20-21-10-14/h2-8,11-12,14,20-21H,9-10H2,1H3,(H,22,23,24)/t12-/m1/s1
InChIKeyTXRQBRTXJADZOQ-GFCCVEGCSA-N
XLogP2.39
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-2-pyrazolidin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-phenylethyl]-2-pyrazolidin-4-ylpyrido[3,4-d]pyrimidin-4-amine (CID 166177652) is N-[(1R)-1-phenylethyl]-2-pyrazolidin-4-ylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-2-pyrazolidin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-phenylethyl]-2-pyrazolidin-4-ylpyrido[3,4-d]pyrimidin-4-amine is C[C@@H](Nc1nc(C2CNNC2)nc2cnccc12)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-2-pyrazolidin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is TXRQBRTXJADZOQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N6/c1-12(13-5-3-2-4-6-13)22-18-15-7-8-19-11-16(15)23-17(24-18)14-9-20-21-10-14/h2-8,11-12,14,20-21H,9-10H2,1H3,(H,22,23,24)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-2-pyrazolidin-4-ylpyrido[3,4-d]pyrimidin-4-amine?
N-[(1R)-1-phenylethyl]-2-pyrazolidin-4-ylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 320.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-2-pyrazolidin-4-ylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 166177652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).