N-(1-adamantyl)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine

C18H25N5 — CID 53357334

IUPACN-(1-adamantyl)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCC(C)c1[nH]nc2c(NC34CC5CC(CC(C5)C3)C4)ncnc12
InChIInChI=1S/C18H25N5/c1-10(2)14-15-16(23-22-14)17(20-9-19-15)21-18-6-11-3-12(7-18)5-13(4-11)8-18/h9-13H,3-8H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyPAPUWNGCUFBJFX-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.86
Rot. Bonds3

About N-(1-adamantyl)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine

N-(1-adamantyl)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 53357334) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(1-adamantyl)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(1-adamantyl)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID53357334
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN-(1-adamantyl)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCC(C)c1[nH]nc2c(NC34CC5CC(CC(C5)C3)C4)ncnc12
InChIInChI=1S/C18H25N5/c1-10(2)14-15-16(23-22-14)17(20-9-19-15)21-18-6-11-3-12(7-18)5-13(4-11)8-18/h9-13H,3-8H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyPAPUWNGCUFBJFX-UHFFFAOYSA-N
XLogP3.86
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of N-(1-adamantyl)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine (CID 53357334) is N-(1-adamantyl)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for N-(1-adamantyl)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for N-(1-adamantyl)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine is CC(C)c1[nH]nc2c(NC34CC5CC(CC(C5)C3)C4)ncnc12.
What is the InChIKey of N-(1-adamantyl)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is PAPUWNGCUFBJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-10(2)14-15-16(23-22-14)17(20-9-19-15)21-18-6-11-3-12(7-18)5-13(4-11)8-18/h9-13H,3-8H2,1-2H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(1-adamantyl)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
N-(1-adamantyl)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 311.43 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 53357334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).