N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine

C21H25N5 — CID 59564744

IUPACN-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESCC(C)c1[nH]ncc1-c1ccnc(NC2CC(C)(C)c3ccccc32)n1
InChIInChI=1S/C21H25N5/c1-13(2)19-15(12-23-26-19)17-9-10-22-20(24-17)25-18-11-21(3,4)16-8-6-5-7-14(16)18/h5-10,12-13,18H,11H2,1-4H3,(H,23,26)(H,22,24,25)
InChIKeyDBKDUPWAJKWAJL-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.82
Rot. Bonds4

About N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine

N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine (PubChem CID 59564744) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine
PubChem CID59564744
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC NameN-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine
SMILESCC(C)c1[nH]ncc1-c1ccnc(NC2CC(C)(C)c3ccccc32)n1
InChIInChI=1S/C21H25N5/c1-13(2)19-15(12-23-26-19)17-9-10-22-20(24-17)25-18-11-21(3,4)16-8-6-5-7-14(16)18/h5-10,12-13,18H,11H2,1-4H3,(H,23,26)(H,22,24,25)
InChIKeyDBKDUPWAJKWAJL-UHFFFAOYSA-N
XLogP4.82
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine (CID 59564744) is N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine is CC(C)c1[nH]ncc1-c1ccnc(NC2CC(C)(C)c3ccccc32)n1.
What is the InChIKey of N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is DBKDUPWAJKWAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-13(2)19-15(12-23-26-19)17-9-10-22-20(24-17)25-18-11-21(3,4)16-8-6-5-7-14(16)18/h5-10,12-13,18H,11H2,1-4H3,(H,23,26)(H,22,24,25).
What are the key properties of N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine?
N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 347.47 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 59564744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).