[3-[[2-(2,2-dimethylpropylamino)-5-[5-(methoxymethyl)furo[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol

C25H35N5O3 — CID 143945889

About [3-[[2-(2,2-dimethylpropylamino)-5-[5-(methoxymethyl)furo[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol

[3-[[2-(2,2-dimethylpropylamino)-5-[5-(methoxymethyl)furo[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol (PubChem CID 143945889) has the molecular formula C25H35N5O3 and a molecular weight of 453.59 g/mol. Its IUPAC name is [3-[[2-(2,2-dimethylpropylamino)-5-[5-(methoxymethyl)furo[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol.

Molecular Properties

• Compound Name: [3-[[2-(2,2-dimethylpropylamino)-5-[5-(methoxymethyl)furo[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol
• PubChem CID: 143945889
• Molecular Formula: C25H35N5O3
• Molecular Weight: 453.59 g/mol
• Exact Mass: 453.27
• IUPAC Name: [3-[[2-(2,2-dimethylpropylamino)-5-[5-(methoxymethyl)furo[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol
• SMILES: COCc1cc2cc(-c3c(C)nc(NCC(C)(C)C)nc3NC3CCC(CO)C3)oc2cn1
• InChI: InChI=1S/C25H35N5O3/c1-15-22(20-10-17-9-19(13-32-5)26-11-21(17)33-20)23(29-18-7-6-16(8-18)12-31)30-24(28-15)27-14-25(2,3)4/h9-11,16,18,31H,6-8,12-14H2,1-5H3,(H2,27,28,29,30)
• InChIKey: NJJNWQXWWFOWHJ-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 105.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.59
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(2,2-dimethylpropylamino)-5-[5-(methoxymethyl)furo[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol?

The IUPAC name of [3-[[2-(2,2-dimethylpropylamino)-5-[5-(methoxymethyl)furo[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol (CID 143945889) is [3-[[2-(2,2-dimethylpropylamino)-5-[5-(methoxymethyl)furo[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol.

What is the SMILES notation for [3-[[2-(2,2-dimethylpropylamino)-5-[5-(methoxymethyl)furo[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol?

The canonical SMILES for [3-[[2-(2,2-dimethylpropylamino)-5-[5-(methoxymethyl)furo[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol is COCc1cc2cc(-c3c(C)nc(NCC(C)(C)C)nc3NC3CCC(CO)C3)oc2cn1.

What is the InChIKey of [3-[[2-(2,2-dimethylpropylamino)-5-[5-(methoxymethyl)furo[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol?

The InChIKey is NJJNWQXWWFOWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O3/c1-15-22(20-10-17-9-19(13-32-5)26-11-21(17)33-20)23(29-18-7-6-16(8-18)12-31)30-24(28-15)27-14-25(2,3)4/h9-11,16,18,31H,6-8,12-14H2,1-5H3,(H2,27,28,29,30).

What are the key properties of [3-[[2-(2,2-dimethylpropylamino)-5-[5-(methoxymethyl)furo[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol?

[3-[[2-(2,2-dimethylpropylamino)-5-[5-(methoxymethyl)furo[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol has a molecular weight of 453.59 g/mol, XLogP of 4.77, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[2-(2,2-dimethylpropylamino)-5-[5-(methoxymethyl)furo[2,3-c]pyridin-2-yl]-6-methylpyrimidin-4-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 143945889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).