4-(5-amino-1H-pyrazol-4-yl)-N-[(8-methyl-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine

C17H25N7O — CID 70313921

IUPAC4-(5-amino-1H-pyrazol-4-yl)-N-[(8-methyl-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine
SMILESCN1CCC2(CC1)COC(CNc1nccc(-c3cn[nH]c3N)n1)C2
InChIInChI=1S/C17H25N7O/c1-24-6-3-17(4-7-24)8-12(25-11-17)9-20-16-19-5-2-14(22-16)13-10-21-23-15(13)18/h2,5,10,12H,3-4,6-9,11H2,1H3,(H3,18,21,23)(H,19,20,22)
InChIKeyUZBJQBNXYBQKOO-UHFFFAOYSA-N
MW343.44 g/mol
LogP1.36
Rot. Bonds4

About 4-(5-amino-1H-pyrazol-4-yl)-N-[(8-methyl-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine

4-(5-amino-1H-pyrazol-4-yl)-N-[(8-methyl-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine (PubChem CID 70313921) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 4-(5-amino-1H-pyrazol-4-yl)-N-[(8-methyl-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-amino-1H-pyrazol-4-yl)-N-[(8-methyl-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine
PubChem CID70313921
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name4-(5-amino-1H-pyrazol-4-yl)-N-[(8-methyl-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine
SMILESCN1CCC2(CC1)COC(CNc1nccc(-c3cn[nH]c3N)n1)C2
InChIInChI=1S/C17H25N7O/c1-24-6-3-17(4-7-24)8-12(25-11-17)9-20-16-19-5-2-14(22-16)13-10-21-23-15(13)18/h2,5,10,12H,3-4,6-9,11H2,1H3,(H3,18,21,23)(H,19,20,22)
InChIKeyUZBJQBNXYBQKOO-UHFFFAOYSA-N
XLogP1.36
TPSA104.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1H-pyrazol-4-yl)-N-[(8-methyl-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-(5-amino-1H-pyrazol-4-yl)-N-[(8-methyl-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine (CID 70313921) is 4-(5-amino-1H-pyrazol-4-yl)-N-[(8-methyl-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(5-amino-1H-pyrazol-4-yl)-N-[(8-methyl-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(5-amino-1H-pyrazol-4-yl)-N-[(8-methyl-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine is CN1CCC2(CC1)COC(CNc1nccc(-c3cn[nH]c3N)n1)C2.
What is the InChIKey of 4-(5-amino-1H-pyrazol-4-yl)-N-[(8-methyl-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is UZBJQBNXYBQKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-24-6-3-17(4-7-24)8-12(25-11-17)9-20-16-19-5-2-14(22-16)13-10-21-23-15(13)18/h2,5,10,12H,3-4,6-9,11H2,1H3,(H3,18,21,23)(H,19,20,22).
What are the key properties of 4-(5-amino-1H-pyrazol-4-yl)-N-[(8-methyl-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine?
4-(5-amino-1H-pyrazol-4-yl)-N-[(8-methyl-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine has a molecular weight of 343.44 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1H-pyrazol-4-yl)-N-[(8-methyl-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 70313921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).