N-[1-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-dihydroimidazol-5-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine

C24H29N7 — CID 137447517

About N-[1-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-dihydroimidazol-5-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine

N-[1-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-dihydroimidazol-5-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine (PubChem CID 137447517) has the molecular formula C24H29N7 and a molecular weight of 415.55 g/mol. Its IUPAC name is N-[1-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-dihydroimidazol-5-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[1-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-dihydroimidazol-5-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine
• PubChem CID: 137447517
• Molecular Formula: C24H29N7
• Molecular Weight: 415.55 g/mol
• Exact Mass: 415.25
• IUPAC Name: N-[1-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-dihydroimidazol-5-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine
• SMILES: C=C1N(C)CCN1c1ccnc(NC2(C3=CN(c4ccc5c(c4)CCC5)CN3)CC2)n1
• InChI: InChI=1S/C24H29N7/c1-17-29(2)12-13-31(17)22-8-11-25-23(27-22)28-24(9-10-24)21-15-30(16-26-21)20-7-6-18-4-3-5-19(18)14-20/h6-8,11,14-15,26H,1,3-5,9-10,12-13,16H2,2H3,(H,25,27,28)
• InChIKey: YPDGVBYSSKKYLC-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 59.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.55
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-dihydroimidazol-5-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine?

The IUPAC name of N-[1-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-dihydroimidazol-5-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine (CID 137447517) is N-[1-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-dihydroimidazol-5-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine.

What is the SMILES notation for N-[1-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-dihydroimidazol-5-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine?

The canonical SMILES for N-[1-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-dihydroimidazol-5-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine is C=C1N(C)CCN1c1ccnc(NC2(C3=CN(c4ccc5c(c4)CCC5)CN3)CC2)n1.

What is the InChIKey of N-[1-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-dihydroimidazol-5-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine?

The InChIKey is YPDGVBYSSKKYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7/c1-17-29(2)12-13-31(17)22-8-11-25-23(27-22)28-24(9-10-24)21-15-30(16-26-21)20-7-6-18-4-3-5-19(18)14-20/h6-8,11,14-15,26H,1,3-5,9-10,12-13,16H2,2H3,(H,25,27,28).

What are the key properties of N-[1-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-dihydroimidazol-5-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine?

N-[1-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-dihydroimidazol-5-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine has a molecular weight of 415.55 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-(2,3-dihydro-1H-inden-5-yl)-1,2-dihydroimidazol-5-yl]cyclopropyl]-4-(3-methyl-2-methylideneimidazolidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 137447517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).