4-(1,3-dihydroisoindol-2-yl)-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]pyrimidin-2-amine

C22H25N5O — CID 167873937

IUPAC4-(1,3-dihydroisoindol-2-yl)-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]pyrimidin-2-amine
SMILESCC(C)(C)Oc1cccc(CNc2nccc(N3Cc4ccccc4C3)n2)n1
InChIInChI=1S/C22H25N5O/c1-22(2,3)28-20-10-6-9-18(25-20)13-24-21-23-12-11-19(26-21)27-14-16-7-4-5-8-17(16)15-27/h4-12H,13-15H2,1-3H3,(H,23,24,26)
InChIKeyUPYPLGUBMQDXRY-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.18
Rot. Bonds5

About 4-(1,3-dihydroisoindol-2-yl)-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]pyrimidin-2-amine

4-(1,3-dihydroisoindol-2-yl)-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]pyrimidin-2-amine (PubChem CID 167873937) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-yl)-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-yl)-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]pyrimidin-2-amine
PubChem CID167873937
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name4-(1,3-dihydroisoindol-2-yl)-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]pyrimidin-2-amine
SMILESCC(C)(C)Oc1cccc(CNc2nccc(N3Cc4ccccc4C3)n2)n1
InChIInChI=1S/C22H25N5O/c1-22(2,3)28-20-10-6-9-18(25-20)13-24-21-23-12-11-19(26-21)27-14-16-7-4-5-8-17(16)15-27/h4-12H,13-15H2,1-3H3,(H,23,24,26)
InChIKeyUPYPLGUBMQDXRY-UHFFFAOYSA-N
XLogP4.18
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1,3-dihydroisoindol-2-yl)-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-amine
CID 167858926
1-[6-[[[4-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]amino]methyl]-2-methyl-3-pyridinyl]ethanol
CID 166246042
4-(1,3-dihydroisoindol-2-yl)-N-(2-methyl-3-pyridin-2-ylpropyl)pyrimidin-2-amine
CID 166376094
2-methyl-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]propan-2-amine
CID 62291642
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 112885872
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)pyrimidin-2-amine
CID 112886203
4-(1,3-dihydroisoindol-2-yl)-N-[2-[6-(dimethylamino)-3-pyridinyl]ethyl]pyrimidin-2-amine
CID 166376089
N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine
CID 62290561
N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]cyclopropanamine
CID 62291463
N-(pyridin-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893321
5-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methylamino]pyrazine-2-carboxylic acid
CID 122054676
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine
CID 112894274

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-(1,3-dihydroisoindol-2-yl)-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]pyrimidin-2-amine (CID 167873937) is 4-(1,3-dihydroisoindol-2-yl)-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-yl)-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-yl)-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]pyrimidin-2-amine is CC(C)(C)Oc1cccc(CNc2nccc(N3Cc4ccccc4C3)n2)n1.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-yl)-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]pyrimidin-2-amine?
The InChIKey is UPYPLGUBMQDXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-22(2,3)28-20-10-6-9-18(25-20)13-24-21-23-12-11-19(26-21)27-14-16-7-4-5-8-17(16)15-27/h4-12H,13-15H2,1-3H3,(H,23,24,26).
What are the key properties of 4-(1,3-dihydroisoindol-2-yl)-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]pyrimidin-2-amine?
4-(1,3-dihydroisoindol-2-yl)-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]pyrimidin-2-amine has a molecular weight of 375.48 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-yl)-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 167873937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).