spiro[chromeno[3,4-d]pyrimidine-5,1'-cyclohexane]-3-amine

C16H17N3O — CID 58233735

IUPACspiro[chromeno[3,4-d]pyrimidine-5,1'-cyclohexane]-3-amine
SMILESNc1ncc2c(n1)C1(CCCCC1)Oc1ccccc1-2
InChIInChI=1S/C16H17N3O/c17-15-18-10-12-11-6-2-3-7-13(11)20-16(14(12)19-15)8-4-1-5-9-16/h2-3,6-7,10H,1,4-5,8-9H2,(H2,17,18,19)
InChIKeyALTHYJHXTULEOX-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.28
Rot. Bonds

About spiro[chromeno[3,4-d]pyrimidine-5,1'-cyclohexane]-3-amine

spiro[chromeno[3,4-d]pyrimidine-5,1'-cyclohexane]-3-amine (PubChem CID 58233735) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is spiro[chromeno[3,4-d]pyrimidine-5,1'-cyclohexane]-3-amine.

Molecular Properties

Compound Namespiro[chromeno[3,4-d]pyrimidine-5,1'-cyclohexane]-3-amine
PubChem CID58233735
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Namespiro[chromeno[3,4-d]pyrimidine-5,1'-cyclohexane]-3-amine
SMILESNc1ncc2c(n1)C1(CCCCC1)Oc1ccccc1-2
InChIInChI=1S/C16H17N3O/c17-15-18-10-12-11-6-2-3-7-13(11)20-16(14(12)19-15)8-4-1-5-9-16/h2-3,6-7,10H,1,4-5,8-9H2,(H2,17,18,19)
InChIKeyALTHYJHXTULEOX-UHFFFAOYSA-N
XLogP3.28
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[chromeno[3,4-d]pyrimidine-5,1'-cyclohexane]-3-amine?
The IUPAC name of spiro[chromeno[3,4-d]pyrimidine-5,1'-cyclohexane]-3-amine (CID 58233735) is spiro[chromeno[3,4-d]pyrimidine-5,1'-cyclohexane]-3-amine.
What is the SMILES notation for spiro[chromeno[3,4-d]pyrimidine-5,1'-cyclohexane]-3-amine?
The canonical SMILES for spiro[chromeno[3,4-d]pyrimidine-5,1'-cyclohexane]-3-amine is Nc1ncc2c(n1)C1(CCCCC1)Oc1ccccc1-2.
What is the InChIKey of spiro[chromeno[3,4-d]pyrimidine-5,1'-cyclohexane]-3-amine?
The InChIKey is ALTHYJHXTULEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-15-18-10-12-11-6-2-3-7-13(11)20-16(14(12)19-15)8-4-1-5-9-16/h2-3,6-7,10H,1,4-5,8-9H2,(H2,17,18,19).
What are the key properties of spiro[chromeno[3,4-d]pyrimidine-5,1'-cyclohexane]-3-amine?
spiro[chromeno[3,4-d]pyrimidine-5,1'-cyclohexane]-3-amine has a molecular weight of 267.33 g/mol, XLogP of 3.28, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[chromeno[3,4-d]pyrimidine-5,1'-cyclohexane]-3-amine is sourced from PubChem (CID 58233735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).