8-(2-amino-6-methoxypyrimidin-4-yl)-2-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

C18H27N5O2 — CID 70754393

IUPAC8-(2-amino-6-methoxypyrimidin-4-yl)-2-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOc1cc(N2CCCC3(CCC(=O)N(CC4CC4)C3)C2)nc(N)n1
InChIInChI=1S/C18H27N5O2/c1-25-15-9-14(20-17(19)21-15)22-8-2-6-18(11-22)7-5-16(24)23(12-18)10-13-3-4-13/h9,13H,2-8,10-12H2,1H3,(H2,19,20,21)
InChIKeyHSZLTIYCDXFCMK-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.69
Rot. Bonds4

About 8-(2-amino-6-methoxypyrimidin-4-yl)-2-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

8-(2-amino-6-methoxypyrimidin-4-yl)-2-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70754393) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 8-(2-amino-6-methoxypyrimidin-4-yl)-2-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-(2-amino-6-methoxypyrimidin-4-yl)-2-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70754393
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name8-(2-amino-6-methoxypyrimidin-4-yl)-2-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOc1cc(N2CCCC3(CCC(=O)N(CC4CC4)C3)C2)nc(N)n1
InChIInChI=1S/C18H27N5O2/c1-25-15-9-14(20-17(19)21-15)22-8-2-6-18(11-22)7-5-16(24)23(12-18)10-13-3-4-13/h9,13H,2-8,10-12H2,1H3,(H2,19,20,21)
InChIKeyHSZLTIYCDXFCMK-UHFFFAOYSA-N
XLogP1.69
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-6-methoxypyrimidin-4-yl)-2-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-(2-amino-6-methoxypyrimidin-4-yl)-2-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70754393) is 8-(2-amino-6-methoxypyrimidin-4-yl)-2-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-(2-amino-6-methoxypyrimidin-4-yl)-2-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-(2-amino-6-methoxypyrimidin-4-yl)-2-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is COc1cc(N2CCCC3(CCC(=O)N(CC4CC4)C3)C2)nc(N)n1.
What is the InChIKey of 8-(2-amino-6-methoxypyrimidin-4-yl)-2-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is HSZLTIYCDXFCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-25-15-9-14(20-17(19)21-15)22-8-2-6-18(11-22)7-5-16(24)23(12-18)10-13-3-4-13/h9,13H,2-8,10-12H2,1H3,(H2,19,20,21).
What are the key properties of 8-(2-amino-6-methoxypyrimidin-4-yl)-2-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
8-(2-amino-6-methoxypyrimidin-4-yl)-2-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 345.45 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-6-methoxypyrimidin-4-yl)-2-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70754393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).