1-(5H-chromeno[4,3-d]pyrimidin-2-yl)piperidin-4-amine

C16H18N4O — CID 103278561

IUPAC1-(5H-chromeno[4,3-d]pyrimidin-2-yl)piperidin-4-amine
SMILESNC1CCN(c2ncc3c(n2)-c2ccccc2OC3)CC1
InChIInChI=1S/C16H18N4O/c17-12-5-7-20(8-6-12)16-18-9-11-10-21-14-4-2-1-3-13(14)15(11)19-16/h1-4,9,12H,5-8,10,17H2
InChIKeyNFVBSXMNBWBNMF-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.96
Rot. Bonds1

About 1-(5H-chromeno[4,3-d]pyrimidin-2-yl)piperidin-4-amine

1-(5H-chromeno[4,3-d]pyrimidin-2-yl)piperidin-4-amine (PubChem CID 103278561) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(5H-chromeno[4,3-d]pyrimidin-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(5H-chromeno[4,3-d]pyrimidin-2-yl)piperidin-4-amine
PubChem CID103278561
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-(5H-chromeno[4,3-d]pyrimidin-2-yl)piperidin-4-amine
SMILESNC1CCN(c2ncc3c(n2)-c2ccccc2OC3)CC1
InChIInChI=1S/C16H18N4O/c17-12-5-7-20(8-6-12)16-18-9-11-10-21-14-4-2-1-3-13(14)15(11)19-16/h1-4,9,12H,5-8,10,17H2
InChIKeyNFVBSXMNBWBNMF-UHFFFAOYSA-N
XLogP1.96
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5H-chromeno[4,3-d]pyrimidin-2-yl)piperidin-4-amine?
The IUPAC name of 1-(5H-chromeno[4,3-d]pyrimidin-2-yl)piperidin-4-amine (CID 103278561) is 1-(5H-chromeno[4,3-d]pyrimidin-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-(5H-chromeno[4,3-d]pyrimidin-2-yl)piperidin-4-amine?
The canonical SMILES for 1-(5H-chromeno[4,3-d]pyrimidin-2-yl)piperidin-4-amine is NC1CCN(c2ncc3c(n2)-c2ccccc2OC3)CC1.
What is the InChIKey of 1-(5H-chromeno[4,3-d]pyrimidin-2-yl)piperidin-4-amine?
The InChIKey is NFVBSXMNBWBNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-12-5-7-20(8-6-12)16-18-9-11-10-21-14-4-2-1-3-13(14)15(11)19-16/h1-4,9,12H,5-8,10,17H2.
What are the key properties of 1-(5H-chromeno[4,3-d]pyrimidin-2-yl)piperidin-4-amine?
1-(5H-chromeno[4,3-d]pyrimidin-2-yl)piperidin-4-amine has a molecular weight of 282.35 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5H-chromeno[4,3-d]pyrimidin-2-yl)piperidin-4-amine is sourced from PubChem (CID 103278561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).