[(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-pyrimidin-2-ylmethanone

C18H26N4O2 — CID 97482931

IUPAC[(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-pyrimidin-2-ylmethanone
SMILESCOC[C@@H]1CN(CC2CC2)C[C@@]12CCN(C(=O)c1ncccn1)C2
InChIInChI=1S/C18H26N4O2/c1-24-11-15-10-21(9-14-3-4-14)12-18(15)5-8-22(13-18)17(23)16-19-6-2-7-20-16/h2,6-7,14-15H,3-5,8-13H2,1H3/t15-,18+/m0/s1
InChIKeyQWHIZYAJJVXNHW-MAUKXSAKSA-N
MW330.43 g/mol
LogP1.30
Rot. Bonds5

About [(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-pyrimidin-2-ylmethanone

[(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-pyrimidin-2-ylmethanone (PubChem CID 97482931) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is [(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-pyrimidin-2-ylmethanone
PubChem CID97482931
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name[(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-pyrimidin-2-ylmethanone
SMILESCOC[C@@H]1CN(CC2CC2)C[C@@]12CCN(C(=O)c1ncccn1)C2
InChIInChI=1S/C18H26N4O2/c1-24-11-15-10-21(9-14-3-4-14)12-18(15)5-8-22(13-18)17(23)16-19-6-2-7-20-16/h2,6-7,14-15H,3-5,8-13H2,1H3/t15-,18+/m0/s1
InChIKeyQWHIZYAJJVXNHW-MAUKXSAKSA-N
XLogP1.30
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-pyrimidin-2-ylmethanone?
The IUPAC name of [(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-pyrimidin-2-ylmethanone (CID 97482931) is [(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-pyrimidin-2-ylmethanone.
What is the SMILES notation for [(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-pyrimidin-2-ylmethanone?
The canonical SMILES for [(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-pyrimidin-2-ylmethanone is COC[C@@H]1CN(CC2CC2)C[C@@]12CCN(C(=O)c1ncccn1)C2.
What is the InChIKey of [(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-pyrimidin-2-ylmethanone?
The InChIKey is QWHIZYAJJVXNHW-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-24-11-15-10-21(9-14-3-4-14)12-18(15)5-8-22(13-18)17(23)16-19-6-2-7-20-16/h2,6-7,14-15H,3-5,8-13H2,1H3/t15-,18+/m0/s1.
What are the key properties of [(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-pyrimidin-2-ylmethanone?
[(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-pyrimidin-2-ylmethanone has a molecular weight of 330.43 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-pyrimidin-2-ylmethanone is sourced from PubChem (CID 97482931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).