(2S)-2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)pentan-2-amine

C20H26N4O — CID 137472254

IUPAC(2S)-2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)pentan-2-amine
SMILESCc1cc(-c2cnn3cccnc23)ccc1OC[C@@](C)(N)CC(C)C
InChIInChI=1S/C20H26N4O/c1-14(2)11-20(4,21)13-25-18-7-6-16(10-15(18)3)17-12-23-24-9-5-8-22-19(17)24/h5-10,12,14H,11,13,21H2,1-4H3/t20-/m0/s1
InChIKeyORUJEPVXJRBEAP-FQEVSTJZSA-N
MW338.46 g/mol
LogP3.85
Rot. Bonds6

About (2S)-2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)pentan-2-amine

(2S)-2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)pentan-2-amine (PubChem CID 137472254) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is (2S)-2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)pentan-2-amine.

Molecular Properties

Compound Name(2S)-2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)pentan-2-amine
PubChem CID137472254
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name(2S)-2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)pentan-2-amine
SMILESCc1cc(-c2cnn3cccnc23)ccc1OC[C@@](C)(N)CC(C)C
InChIInChI=1S/C20H26N4O/c1-14(2)11-20(4,21)13-25-18-7-6-16(10-15(18)3)17-12-23-24-9-5-8-22-19(17)24/h5-10,12,14H,11,13,21H2,1-4H3/t20-/m0/s1
InChIKeyORUJEPVXJRBEAP-FQEVSTJZSA-N
XLogP3.85
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)pentan-2-amine?
The IUPAC name of (2S)-2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)pentan-2-amine (CID 137472254) is (2S)-2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)pentan-2-amine.
What is the SMILES notation for (2S)-2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)pentan-2-amine?
The canonical SMILES for (2S)-2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)pentan-2-amine is Cc1cc(-c2cnn3cccnc23)ccc1OC[C@@](C)(N)CC(C)C.
What is the InChIKey of (2S)-2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)pentan-2-amine?
The InChIKey is ORUJEPVXJRBEAP-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14(2)11-20(4,21)13-25-18-7-6-16(10-15(18)3)17-12-23-24-9-5-8-22-19(17)24/h5-10,12,14H,11,13,21H2,1-4H3/t20-/m0/s1.
What are the key properties of (2S)-2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)pentan-2-amine?
(2S)-2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)pentan-2-amine has a molecular weight of 338.46 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)pentan-2-amine is sourced from PubChem (CID 137472254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).