(4S)-1-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-1,7-diazaspiro[3.4]octane

C15H22N4O — CID 97397571

IUPAC(4S)-1-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-1,7-diazaspiro[3.4]octane
SMILESCOc1cc(N2CC[C@@]3(CCN3CC3CC3)C2)ncn1
InChIInChI=1S/C15H22N4O/c1-20-14-8-13(16-11-17-14)18-6-4-15(10-18)5-7-19(15)9-12-2-3-12/h8,11-12H,2-7,9-10H2,1H3/t15-/m1/s1
InChIKeyLYXVBXPHKPJUDK-OAHLLOKOSA-N
MW274.37 g/mol
LogP1.55
Rot. Bonds4

About (4S)-1-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-1,7-diazaspiro[3.4]octane

(4S)-1-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-1,7-diazaspiro[3.4]octane (PubChem CID 97397571) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (4S)-1-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-1,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name(4S)-1-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-1,7-diazaspiro[3.4]octane
PubChem CID97397571
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(4S)-1-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-1,7-diazaspiro[3.4]octane
SMILESCOc1cc(N2CC[C@@]3(CCN3CC3CC3)C2)ncn1
InChIInChI=1S/C15H22N4O/c1-20-14-8-13(16-11-17-14)18-6-4-15(10-18)5-7-19(15)9-12-2-3-12/h8,11-12H,2-7,9-10H2,1H3/t15-/m1/s1
InChIKeyLYXVBXPHKPJUDK-OAHLLOKOSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-1,7-diazaspiro[3.4]octane?
The IUPAC name of (4S)-1-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-1,7-diazaspiro[3.4]octane (CID 97397571) is (4S)-1-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-1,7-diazaspiro[3.4]octane.
What is the SMILES notation for (4S)-1-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-1,7-diazaspiro[3.4]octane?
The canonical SMILES for (4S)-1-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-1,7-diazaspiro[3.4]octane is COc1cc(N2CC[C@@]3(CCN3CC3CC3)C2)ncn1.
What is the InChIKey of (4S)-1-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-1,7-diazaspiro[3.4]octane?
The InChIKey is LYXVBXPHKPJUDK-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N4O/c1-20-14-8-13(16-11-17-14)18-6-4-15(10-18)5-7-19(15)9-12-2-3-12/h8,11-12H,2-7,9-10H2,1H3/t15-/m1/s1.
What are the key properties of (4S)-1-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-1,7-diazaspiro[3.4]octane?
(4S)-1-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-1,7-diazaspiro[3.4]octane has a molecular weight of 274.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(cyclopropylmethyl)-7-(6-methoxypyrimidin-4-yl)-1,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97397571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).