N-(2,3-dihydro-1H-inden-1-yl)-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine

C20H23N5 — CID 46999445

IUPACN-(2,3-dihydro-1H-inden-1-yl)-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine
SMILESCCCn1cc(-c2ccnc(NC3CCc4ccccc43)n2)c(C)n1
InChIInChI=1S/C20H23N5/c1-3-12-25-13-17(14(2)24-25)19-10-11-21-20(23-19)22-18-9-8-15-6-4-5-7-16(15)18/h4-7,10-11,13,18H,3,8-9,12H2,1-2H3,(H,21,22,23)
InChIKeyIVBNDKUYYONSFM-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.16
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-1-yl)-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine

N-(2,3-dihydro-1H-inden-1-yl)-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 46999445) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID46999445
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine
SMILESCCCn1cc(-c2ccnc(NC3CCc4ccccc43)n2)c(C)n1
InChIInChI=1S/C20H23N5/c1-3-12-25-13-17(14(2)24-25)19-10-11-21-20(23-19)22-18-9-8-15-6-4-5-7-16(15)18/h4-7,10-11,13,18H,3,8-9,12H2,1-2H3,(H,21,22,23)
InChIKeyIVBNDKUYYONSFM-UHFFFAOYSA-N
XLogP4.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine (CID 46999445) is N-(2,3-dihydro-1H-inden-1-yl)-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine is CCCn1cc(-c2ccnc(NC3CCc4ccccc43)n2)c(C)n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is IVBNDKUYYONSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-3-12-25-13-17(14(2)24-25)19-10-11-21-20(23-19)22-18-9-8-15-6-4-5-7-16(15)18/h4-7,10-11,13,18H,3,8-9,12H2,1-2H3,(H,21,22,23).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine?
N-(2,3-dihydro-1H-inden-1-yl)-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 333.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-4-(3-methyl-1-propylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 46999445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).