azane;5-[6-hydroxy-1-(4-methylpentyl)-2,4-dioxopyrimidin-5-yl]-3-(4-methylpentyl)-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione

C27H37N5O6 — CID 131666911

About azane;5-[6-hydroxy-1-(4-methylpentyl)-2,4-dioxopyrimidin-5-yl]-3-(4-methylpentyl)-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione

azane;5-[6-hydroxy-1-(4-methylpentyl)-2,4-dioxopyrimidin-5-yl]-3-(4-methylpentyl)-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 131666911) has the molecular formula C27H37N5O6 and a molecular weight of 527.62 g/mol. Its IUPAC name is azane;5-[6-hydroxy-1-(4-methylpentyl)-2,4-dioxopyrimidin-5-yl]-3-(4-methylpentyl)-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: azane;5-[6-hydroxy-1-(4-methylpentyl)-2,4-dioxopyrimidin-5-yl]-3-(4-methylpentyl)-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 131666911
• Molecular Formula: C27H37N5O6
• Molecular Weight: 527.62 g/mol
• Exact Mass: 527.27
• IUPAC Name: azane;5-[6-hydroxy-1-(4-methylpentyl)-2,4-dioxopyrimidin-5-yl]-3-(4-methylpentyl)-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione
• SMILES: CC(C)CCCn1c(O)c(C2c3ccccc3Oc3[nH]c(=O)n(CCCC(C)C)c(=O)c32)c(=O)[nH]c1=O.N
• InChI: InChI=1S/C27H34N4O6.H3N/c1-15(2)9-7-13-30-24(33)20(22(32)28-26(30)35)19-17-11-5-6-12-18(17)37-23-21(19)25(34)31(27(36)29-23)14-8-10-16(3)4;/h5-6,11-12,15-16,19,33H,7-10,13-14H2,1-4H3,(H,29,36)(H,28,32,35);1H3
• InChIKey: CONGZECBOOUTNT-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 174.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.62
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of azane;5-[6-hydroxy-1-(4-methylpentyl)-2,4-dioxopyrimidin-5-yl]-3-(4-methylpentyl)-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione?

The IUPAC name of azane;5-[6-hydroxy-1-(4-methylpentyl)-2,4-dioxopyrimidin-5-yl]-3-(4-methylpentyl)-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione (CID 131666911) is azane;5-[6-hydroxy-1-(4-methylpentyl)-2,4-dioxopyrimidin-5-yl]-3-(4-methylpentyl)-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione.

What is the SMILES notation for azane;5-[6-hydroxy-1-(4-methylpentyl)-2,4-dioxopyrimidin-5-yl]-3-(4-methylpentyl)-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione?

The canonical SMILES for azane;5-[6-hydroxy-1-(4-methylpentyl)-2,4-dioxopyrimidin-5-yl]-3-(4-methylpentyl)-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione is CC(C)CCCn1c(O)c(C2c3ccccc3Oc3[nH]c(=O)n(CCCC(C)C)c(=O)c32)c(=O)[nH]c1=O.N.

What is the InChIKey of azane;5-[6-hydroxy-1-(4-methylpentyl)-2,4-dioxopyrimidin-5-yl]-3-(4-methylpentyl)-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione?

The InChIKey is CONGZECBOOUTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O6.H3N/c1-15(2)9-7-13-30-24(33)20(22(32)28-26(30)35)19-17-11-5-6-12-18(17)37-23-21(19)25(34)31(27(36)29-23)14-8-10-16(3)4;/h5-6,11-12,15-16,19,33H,7-10,13-14H2,1-4H3,(H,29,36)(H,28,32,35);1H3.

What are the key properties of azane;5-[6-hydroxy-1-(4-methylpentyl)-2,4-dioxopyrimidin-5-yl]-3-(4-methylpentyl)-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione?

azane;5-[6-hydroxy-1-(4-methylpentyl)-2,4-dioxopyrimidin-5-yl]-3-(4-methylpentyl)-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 527.62 g/mol, XLogP of 3.41, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for azane;5-[6-hydroxy-1-(4-methylpentyl)-2,4-dioxopyrimidin-5-yl]-3-(4-methylpentyl)-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 131666911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).